General Information of the Compound
| Compound ID |
CP0931269
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| Compound Name |
N-(5-cyano-2-(4-(2,4-difluorophenoxy)piperidin-1-yl)phenyl)-1-methyl-6-oxo-2-phenyl-1,6-dihydropyrimidine-5-carboxamide
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| Structure |
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| Formula |
C30H25F2N5O3
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| Molecular Weight |
541.558
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| Canonical SMILES |
Cn1c(-c2ccccc2)ncc(C(=O)Nc2cc(C#N)ccc2N2CCC(Oc3ccc(F)cc3F)CC2)c1=O
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| InChI |
InChI=1S/C30H25F2N5O3/c1-36-28(20-5-3-2-4-6-20)34-18-23(30(36)39)29(38)35-25-15-19(17-33)7-9-26(25)37-13-11-22(12-14-37)40-27-10-8-21(31)16-24(27)32/h2-10,15-16,18,22H,11-14H2,1H3,(H,35,38)
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| InChIKey |
VUNUUQRCYMXJTA-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