General Information of the Compound
| Compound ID |
CP0354398
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| Compound Name |
6-(3-chloro-5-methylphenyl)-3-(3-fluoro-5-hydroxyphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]pyrido[2,3-d]pyrimidin-4-one
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| Structure |
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| Formula |
C27H27ClFN5O2
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| Molecular Weight |
507.997
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| Canonical SMILES |
CN(C[C@@H]1CCCN1)Cc1c(cnc2ncn(-c3cc(O)cc(F)c3)c(=O)c12)-c1cc(C)cc(Cl)c1
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| InChI |
InChI=1S/C27H27ClFN5O2/c1-16-6-17(8-18(28)7-16)23-12-31-26-25(24(23)14-33(2)13-20-4-3-5-30-20)27(36)34(15-32-26)21-9-19(29)10-22(35)11-21/h6-12,15,20,30,35H,3-5,13-14H2,1-2H3/t20-/m0/s1
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| InChIKey |
YBLBKTUFAZAQNI-FQEVSTJZSA-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