Microsource Spectrum01500549

01500549
  -ISIS-  05100513512D

 17 18  0  0  0  0  0  0  0  0999 V2000
    4.5875   -1.8917    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    3.9417   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5875   -2.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917   -2.6417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7875   -3.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0375   -3.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292   -3.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0667   -2.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1292   -1.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3500   -1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542   -0.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917   -2.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  2  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11  8  1  0  0  0  0
 12  8  2  0  0  0  0
 13 15  2  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  0  0  0  0
 16 11  2  0  0  0  0
 17  7  1  0  0  0  0
 13 16  1  0  0  0  0
  6  7  2  0  0  0  0
M  END
>  <ID> (448)
01500549

>  <MOLENAME> (448)
SULFAMETHIZOLE

>  <plate> (448)
013012

>  <position> (448)
E03

>  <therap> (448)
antibacterial

>  <cas#> (448)
144-82-1

>  <source> (448)
synthetic

$$$$

S(=O)(=O)(Nc1sc(nn1)C)c1ccc(N)cc1	01500549

InChI=1/C9H10N4O2S2/c1-6-11-12-9(16-6)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H,12,13)/f/h13H

To be implemented TODO

Library	Microsource Spectrum
ID	01500549
Name	SULFAMETHIZOLE
Formula	C9H10N4O2S2
Molecular Weight	270.331

Format	Plate	Well
384	3	J06
96	12	E03

Physicochemical Properties

ACG 0

AOH 0

ARB 11.000

AT 17.000

AlogP98 0.772

B 0

BAG 0

BIC 0.604

BON 18

Br 0

CHI-0 12.466

CHI-1 7.971

CHI-2 7.934

CHI-3_C 1.976

CHI-3_CH 0

CHI-3_P 5.739

CHI-V-0 10.547

CHI-V-1 6.957

CHI-V-2 6.165

CHI-V-3_C 1.165

CHI-V-3_CH 0

CHI-V-3_P 4.176

CIC 1.265

Cl 0

E-ADJ-mag 296.423

E-DIST-mag 2597.981

F 0

FRB 0.167

GDI 3.716

GRA 0.510

HA1 6

HA2 7.000

HAL 0

HD1 2

HD2 1.000

Hbond acceptor 5.000

Hbond donor 3.000

I 0

IAC-Total 54.633

IC 2.822

JX 2.103

KS1 13.432

KS2 5.325

Kappa-1 13.432

Kappa-1-AM 11.805

Kappa-2 5.325

Kappa-2-AM 4.302

Kappa-3 3.484

Kappa-3-AM 2.714

LGP 2.310

MR 66.353

N 4

NO2 0

O 2

OSO 0

P 0

PHI 2.987

POL 134.590

ROT 3.000

Rotlbonds 3.000

S 2

SC-0 17.000

SC-1 18

SC-2 26

SC-3_C 8

SC-3_CH 0

SC-3_P 30

SIC 0.690

SO 0

SO2 2

TDI 10

TRA 1.000

V-ADJ-mag 186.117

V-DIST-mag 2271.825

Wiener 535.000

ZI1 88

Zagreb 88

show 66 more...

Sample Information

therap antibacterial

source synthetic

cas# 144-82-1

weight 270.3313

position E03

Relevant Screens

Screen ID	Screen Name	Compound Activity
161	Trafficking Pathways in Root Tip	no information