General Information of the Compound
| Compound ID |
CP0183352
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| Compound Name |
7-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[(3-chloro-1H-indol-7-yl)amino]-3H-pyrido[4,3-d]pyrimidin-4-one
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| Structure |
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| Formula |
C21H22ClN7O
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| Molecular Weight |
423.908
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| Canonical SMILES |
N[C@H]1CCCC[C@H]1Nc1cc2nc[nH]c(=O)c2c(Nc2cccc3c(Cl)c[nH]c23)n1
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| InChI |
InChI=1S/C21H22ClN7O/c22-12-9-24-19-11(12)4-3-7-15(19)28-20-18-16(25-10-26-21(18)30)8-17(29-20)27-14-6-2-1-5-13(14)23/h3-4,7-10,13-14,24H,1-2,5-6,23H2,(H,25,26,30)(H2,27,28,29)/t13-,14+/m0/s1
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| InChIKey |
KDXHNAAPPFDXHV-UONOGXRCSA-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