General Information of the Compound
| Compound ID |
CP0881785
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| Compound Name |
(S)-6-((1-(Cyclopentylmethyl)piperidin-3-yl)methyl)-2-(3-methoxyphenyl)-5-(2-methylpyridin-3-yl)-2H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
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| Structure |
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| Formula |
C30H36N6O2
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| Molecular Weight |
512.658
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| Canonical SMILES |
COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCCN(CC5CCCC5)C4)c(=O)c3n2)c1
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| InChI |
InChI=1S/C30H36N6O2/c1-21-26(13-6-14-31-21)29-32-27-20-36(24-11-5-12-25(16-24)38-2)33-28(27)30(37)35(29)19-23-10-7-15-34(18-23)17-22-8-3-4-9-22/h5-6,11-14,16,20,22-23H,3-4,7-10,15,17-19H2,1-2H3/t23-/m0/s1
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| InChIKey |
SKWYSCOXKQAPDR-QHCPKHFHSA-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