General Information of the Compound
| Compound ID |
CP0538302
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| Compound Name |
3-(3-hydroxyphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]-6-[3-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidin-4-one
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| Formula |
C27H26F3N5O3
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| Molecular Weight |
525.531
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| Canonical SMILES |
CN(C[C@@H]1CCCN1)Cc1c(cnc2ncn(-c3cccc(O)c3)c(=O)c12)-c1cccc(OC(F)(F)F)c1
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| InChI |
InChI=1S/C27H26F3N5O3/c1-34(14-18-6-4-10-31-18)15-23-22(17-5-2-9-21(11-17)38-27(28,29)30)13-32-25-24(23)26(37)35(16-33-25)19-7-3-8-20(36)12-19/h2-3,5,7-9,11-13,16,18,31,36H,4,6,10,14-15H2,1H3/t18-/m0/s1
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| InChIKey |
VBZUPEXQPADYFV-SFHVURJKSA-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