General Information of the Compound
| Compound ID |
CP0244626
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| Compound Name |
7-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[(1-methylindol-7-yl)amino]-3H-pyrido[4,3-d]pyrimidin-4-one
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| Structure |
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| Formula |
C22H25N7O
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| Molecular Weight |
403.49
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| Canonical SMILES |
Cn1ccc2cccc(Nc3nc(N[C@@H]4CCCC[C@@H]4N)cc4nc[nH]c(=O)c34)c12
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| InChI |
InChI=1S/C22H25N7O/c1-29-10-9-13-5-4-8-16(20(13)29)27-21-19-17(24-12-25-22(19)30)11-18(28-21)26-15-7-3-2-6-14(15)23/h4-5,8-12,14-15H,2-3,6-7,23H2,1H3,(H,24,25,30)(H2,26,27,28)/t14-,15+/m0/s1
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| InChIKey |
ZOWLYZDDVZVMPV-LSDHHAIUSA-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