General Information of the Compound
| Compound ID |
CP0876093
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| Compound Name |
6-((1R,2S)-2-aminocyclohexylamino)-7-(1H-pyrazol-4-yl)-4-(m-tolylamino)-1H-pyrrolo[3,4-c]pyridin-3(2H)-one
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| Structure |
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| Formula |
C23H27N7O
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| Molecular Weight |
417.517
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| Canonical SMILES |
Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)c(-c3cn[nH]c3)c3c2C(=O)NC3)c1
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| InChI |
InChI=1S/C23H27N7O/c1-13-5-4-6-15(9-13)28-22-20-16(12-25-23(20)31)19(14-10-26-27-11-14)21(30-22)29-18-8-3-2-7-17(18)24/h4-6,9-11,17-18H,2-3,7-8,12,24H2,1H3,(H,25,31)(H,26,27)(H2,28,29,30)/t17-,18+/m0/s1
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| InChIKey |
YJDDNHXATJAJQT-ZWKOTPCHSA-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