General Information of the Compound
| Compound ID |
CP0386247
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| Compound Name |
6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-methyl-4-(3-methylanilino)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
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| Structure |
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| Formula |
C21H27N5O
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| Molecular Weight |
365.481
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| Canonical SMILES |
Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)c(C)c3CNC(=O)c23)c1
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| InChI |
InChI=1S/C21H27N5O/c1-12-6-5-7-14(10-12)24-20-18-15(11-23-21(18)27)13(2)19(26-20)25-17-9-4-3-8-16(17)22/h5-7,10,16-17H,3-4,8-9,11,22H2,1-2H3,(H,23,27)(H2,24,25,26)/t16-,17+/m0/s1
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| InChIKey |
AJASROCNLFYWOD-DLBZAZTESA-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