ChemMine - Microsource Spectrum 01502130

01502130
  -ISIS-  05100513512D

  7  7  0  0  0  0  0  0  0  0999 V2000
    5.3417   -3.7250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8792   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000   -3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000   -4.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6000   -4.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542   -3.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6917   -4.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  1  6  1  6  0  0  0
  7  2  1  0  0  0  0
  4  3  1  0  0  0  0
M  END
>  <ID> (538986107)
01502130

>  <MOLENAME> (538986107)
AMINOCYCLOPROPANECARBOXYLIC ACID

>  <plate> (538986107)
013011

>  <position> (538986107)
H06

>  <therap> (538986107)
NMDA partial agonist (gly)

>  <source> (538986107)
synthetic; ACPC

$$$$

[C@]1(C(=O)O)(CC1)N	01502130

InChI=1/C4H7NO2/c5-4(1-2-4)3(6)7/h1-2,5H2,(H,6,7)/f/h6H

To be implemented TODO

Library	Microsource Spectrum
ID	01502130
Name	AMINOCYCLOPROPANECARBOXYLIC-ACID
Formula	C4H7NO2
Molecular Weight	101.104

Format	Plate	Well
384	3	P11
96	11	H06

Physicochemical Properties

ACG 1.000

AOH 0

ARB 0

AT 7.000

AlogP98 -0.607

B 0

BAG 0

BIC 0.745

BON 7.000

Br 0

CHI-0 5.492

CHI-1 3.150

CHI-2 3.309

CHI-3_C 1.091

CHI-3_CH 0.250

CHI-3_P 2.183

CHI-V-0 3.847

CHI-V-1 2.174

CHI-V-2 1.961

CHI-V-3_C 0.519

CHI-V-3_CH 0.250

CHI-V-3_P 0.965

CIC 0.571

Cl 0

E-ADJ-mag 98.107

E-DIST-mag 258.297

F 0

FRB 0.143

GDI 2.026

GRA 0.737

HA1 1.000

HA2 2

HAL 0

HD1 1.000

HD2 1.000

Hbond acceptor 3.000

Hbond donor 3.000

I 0

IAC-Total 23.651

IC 2.236

JX 2.438

KS1 5.143

KS2 1.240

Kappa-1 5.143

Kappa-1-AM 4.742

Kappa-2 1.240

Kappa-2-AM 1.050

Kappa-3 0.960

Kappa-3-AM 0.783

LGP -2.489

MR 22.681

N 1.000

NO2 0

O 2

OSO 0

P 0

PHI 0.711

POL 67.770

ROT 1.000

Rotlbonds 2

S 0

SC-0 7.000

SC-1 7.000

SC-2 11.000

SC-3_C 5.000

SC-3_CH 1.000

SC-3_P 10

SIC 0.796

SO 0

SO2 0

TDI 3.000

TRA 1.000

V-ADJ-mag 53.303

V-DIST-mag 258.302

Wiener 41.000

ZI1 36

Zagreb 36

show 66 more...

Sample Information

therap NMDA partial agonist (gly)

source synthetic; ACPC

weight 101.10388

position H06

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

Microsource Spectrum01502130

Relevant Screens