General Information of the Compound
| Compound ID |
CP0961719
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| Compound Name |
N-(5-cyano-2-(4-(2,4-difluorophenoxy)piperidin-1-yl)phenyl)-4-methoxy-1-phenyl-1H-pyrazole-3-carboxamide
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| Structure |
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| Formula |
C29H25F2N5O3
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| Molecular Weight |
529.547
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| Canonical SMILES |
COc1cn(-c2ccccc2)nc1C(=O)Nc1cc(C#N)ccc1N1CCC(Oc2ccc(F)cc2F)CC1
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| InChI |
InChI=1S/C29H25F2N5O3/c1-38-27-18-36(21-5-3-2-4-6-21)34-28(27)29(37)33-24-15-19(17-32)7-9-25(24)35-13-11-22(12-14-35)39-26-10-8-20(30)16-23(26)31/h2-10,15-16,18,22H,11-14H2,1H3,(H,33,37)
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| InChIKey |
KNWGXUWHIZRAMG-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