General Information of the Compound
| Compound ID |
CP0551417
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| Compound Name |
5-[(3-aminopyrrolidin-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 |
C26H27N5O2
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| Molecular Weight |
441.535
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| Canonical SMILES |
Cc1cc(C)cc(c1)-c1cnc2ncn(-c3cccc(O)c3)c(=O)c2c1CN1CCC(N)C1
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| InChI |
InChI=1S/C26H27N5O2/c1-16-8-17(2)10-18(9-16)22-12-28-25-24(23(22)14-30-7-6-19(27)13-30)26(33)31(15-29-25)20-4-3-5-21(32)11-20/h3-5,8-12,15,19,32H,6-7,13-14,27H2,1-2H3
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| InChIKey |
ODWFZRFTEIZSQF-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