General Information of the Compound
| Compound ID |
CP0552143
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| Compound Name |
3-(3-hydroxyphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]-6-[3-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-one
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| Formula |
C27H26F3N5O2
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| Molecular Weight |
509.532
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| Canonical SMILES |
CN(C[C@@H]1CCCN1)Cc1c(cnc2ncn(-c3cccc(O)c3)c(=O)c12)-c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C27H26F3N5O2/c1-34(14-19-7-4-10-31-19)15-23-22(17-5-2-6-18(11-17)27(28,29)30)13-32-25-24(23)26(37)35(16-33-25)20-8-3-9-21(36)12-20/h2-3,5-6,8-9,11-13,16,19,31,36H,4,7,10,14-15H2,1H3/t19-/m0/s1
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| InChIKey |
PSQIQBRDMNUHKA-IBGZPJMESA-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