General Information of the Compound
| Compound ID |
CP0538300
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| Compound Name |
5-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]-6-(3,5-dimethylphenyl)-3-(3-hydroxyphenyl)pyrido[2,3-d]pyrimidin-4-one
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| Structure |
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| Formula |
C27H29N5O2
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| Molecular Weight |
455.562
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| Canonical SMILES |
Cc1cc(C)cc(c1)-c1cnc2ncn(-c3cccc(O)c3)c(=O)c2c1CN1CCCC1CN
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| InChI |
InChI=1S/C27H29N5O2/c1-17-9-18(2)11-19(10-17)23-14-29-26-25(24(23)15-31-8-4-6-21(31)13-28)27(34)32(16-30-26)20-5-3-7-22(33)12-20/h3,5,7,9-12,14,16,21,33H,4,6,8,13,15,28H2,1-2H3
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| InChIKey |
FXPKSHAXQRAAMT-UHFFFAOYSA-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