General Information of the Compound
| Compound ID |
CP0968870
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| Compound Name |
(R)-3-(4-(6-chloro-5-(pyrrolidin-3-ylamino)-1H-indazol-3-yl)-1H-pyrazol-1-yl)benzonitrile
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| Formula |
C21H18ClN7
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| Molecular Weight |
403.877
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| Canonical SMILES |
N#Cc1cccc(-n2cc(-c3n[nH]c4cc(Cl)c(N[C@@H]5CCNC5)cc34)cn2)c1
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| InChI |
InChI=1S/C21H18ClN7/c22-18-8-19-17(7-20(18)26-15-4-5-24-11-15)21(28-27-19)14-10-25-29(12-14)16-3-1-2-13(6-16)9-23/h1-3,6-8,10,12,15,24,26H,4-5,11H2,(H,27,28)/t15-/m1/s1
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| InChIKey |
GLHJKYCHVYCTAN-OAHLLOKOSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01128, Tyrosine-protein kinase receptor UFO
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000084 | SK-OV-3 | Homo sapiens (Human) | 1 |
| 1 |
GI50 = 496 nM
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TI
LI
LO
TS
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