General Information of the Compound
| Compound ID |
CP0960720
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| Compound Name |
(R)-4-(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#Cc1ccc(-n2cc(-c3n[nH]c4cc(Cl)c(N[C@@H]5CCNC5)cc34)cn2)cc1
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| InChI |
InChI=1S/C21H18ClN7/c22-18-8-19-17(7-20(18)26-15-5-6-24-11-15)21(28-27-19)14-10-25-29(12-14)16-3-1-13(9-23)2-4-16/h1-4,7-8,10,12,15,24,26H,5-6,11H2,(H,27,28)/t15-/m1/s1
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| InChIKey |
JMVBNURHAWPOMV-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