General Information of the Compound
| Compound ID |
CP0514370
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| Compound Name |
(S)-4,4-difluoro-N-(3-(4-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)piperidin-1-yl)-1-phenylpropyl)cyclohexanecarboxamide
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| Structure |
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| Formula |
C27H39F2N5O
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| Molecular Weight |
487.639
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| Canonical SMILES |
CC(C)c1nnc(C)n1C1CCN(CC[C@H](NC(=O)C2CCC(F)(F)CC2)c2ccccc2)CC1
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| InChI |
InChI=1S/C27H39F2N5O/c1-19(2)25-32-31-20(3)34(25)23-11-16-33(17-12-23)18-13-24(21-7-5-4-6-8-21)30-26(35)22-9-14-27(28,29)15-10-22/h4-8,19,22-24H,9-18H2,1-3H3,(H,30,35)/t24-/m0/s1
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| InChIKey |
SFVYQDVYAMTRIX-DEOSSOPVSA-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