General Information of the Compound
| Compound ID |
CP0532989
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| Compound Name |
N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxo-1,2-dihydropyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
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| Structure |
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| Formula |
C32H30F3N5O4
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| Molecular Weight |
605.617
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| Canonical SMILES |
CCOc1ccc(cc1)N1C(Nc2ncccc2C1=O)[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C32H30F3N5O4/c1-3-43-25-14-10-24(11-15-25)40-30(38-29-27(31(40)42)7-5-17-37-29)21(2)39(20-23-6-4-16-36-19-23)28(41)18-22-8-12-26(13-9-22)44-32(33,34)35/h4-17,19,21,30H,3,18,20H2,1-2H3,(H,37,38)/t21-,30?/m1/s1
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| InChIKey |
WDKIFBGCGXMKEJ-BPADPFCFSA-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