General Information of the Compound
| Compound ID |
CP0432915
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| Compound Name |
6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(3-methylanilino)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
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| Structure |
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| Formula |
C20H25N5O
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| Molecular Weight |
351.454
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| Canonical SMILES |
Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)cc3CNC(=O)c23)c1
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| InChI |
InChI=1S/C20H25N5O/c1-12-5-4-6-14(9-12)23-19-18-13(11-22-20(18)26)10-17(25-19)24-16-8-3-2-7-15(16)21/h4-6,9-10,15-16H,2-3,7-8,11,21H2,1H3,(H,22,26)(H2,23,24,25)/t15-,16+/m0/s1
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| InChIKey |
UITJPHZNGQVUHM-JKSUJKDBSA-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