ChemBridge NovaCore50770662

50770662
  -ISIS-  11030513482D
CONFIDENTIAL
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M  END
>  <id> (50770662)
50770662

>  <Plate> (50770662)
385G50469

>  <Well> (50770662)
D09

>  <Purity> (50770662)
90%

>  <Concentration_per_well> (50770662)
10mM

>  <Amount> (50770662)
1 umol

>  <Comments> (50770662)
CONFIDENTIAL

>  <Supplier> (50770662)
ChemBridge

>  <Scheme_client> (50770662)
2100

$$$$

c1([nH]c2c(c1)cccc2)c1cc(NC(=O)C2CCN(Cc3oc(cc3)C)CC2)ccc1	50770662

InChI=1/C26H27N3O2/c1-18-9-10-23(31-18)17-29-13-11-19(12-14-29)26(30)27-22-7-4-6-20(15-22)25-16-21-5-2-3-8-24(21)28-25/h2-10,15-16,19,28H,11-14,17H2,1H3,(H,27,30)/f/h27H

To be implemented TODO

Library	ChemBridge NovaCore
ID	50770662
Name
Formula	C26H27N3O2
Molecular Weight	413.512

Format	Plate	Well
384	24	G18
96	94	D09

Physicochemical Properties

ACG 0

AOH 0

ARB 21.000

AT 31.000

AlogP98 4.591

B 0

BAG 1.000

BIC 0.704

BON 35.000

Br 0

CHI-0 21.209

CHI-1 15.136

CHI-2 13.843

CHI-3_C 1.970

CHI-3_CH 0

CHI-3_P 11.639

CHI-V-0 17.727

CHI-V-1 10.907

CHI-V-2 8.403

CHI-V-3_C 0.957

CHI-V-3_CH 0

CHI-V-3_P 6.105

CIC 1.057

Cl 0

E-ADJ-mag 648.242

E-DIST-mag 12149.129

F 0

FRB 0.171

GDI 10.081

GRA 0.793

HA1 2

HA2 3.000

HAL 0

HD1 3.000

HD2 3.000

Hbond acceptor 3.000

Hbond donor 2

I 0

IAC-Total 82.415

IC 3.898

JX 1.174

KS1 22.776

KS2 10.508

Kappa-1 22.776

Kappa-1-AM 19.642

Kappa-2 10.508

Kappa-2-AM 8.438

Kappa-3 5.742

Kappa-3-AM 4.417

LGP 5.739

MR 122.553

N 3.000

NO2 0

O 2

OSO 0

P 0

PHI 5.346

POL 62.470

ROT 6

Rotlbonds 6

S 0

SC-0 31.000

SC-1 35.000

SC-2 49.000

SC-3_C 10

SC-3_CH 0

SC-3_P 64

SIC 0.787

SO 0

SO2 0

TDI 18

TRA 1.000

V-ADJ-mag 429.050

V-DIST-mag 9196.143

Wiener 3200

ZI1 168

Zagreb 168

show 66 more...

Sample Information

Concentration_per_well 10mM

Scheme_client 2100

weight 413.51148

Well D09

Comments CONFIDENTIAL

Amount 1 umol

Purity 90%

Supplier ChemBridge

Relevant Screens

Screen ID	Screen Name	Compound Activity
243	Identification of ROP/GAP interaction inhibitors	score: 3