General Information of the Compound
| Compound ID |
CP0417158
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| Compound Name |
N-[2-[[2-[[(1S,3S,4R)-3-(benzenesulfonylmethyl)-4-[methyl(propan-2-yl)amino]cyclohexyl]amino]-2-oxoethyl]carbamoyl]-4-(trifluoromethyl)phenyl]azetidine-1-carboxamide
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| Structure |
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| Formula |
C31H40F3N5O5S
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| Molecular Weight |
651.752
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| Canonical SMILES |
CC(C)N(C)[C@@H]1CC[C@@H](C[C@@H]1CS(=O)(=O)c1ccccc1)NC(=O)CNC(=O)c1cc(ccc1NC(=O)N1CCC1)C(F)(F)F
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| InChI |
InChI=1S/C31H40F3N5O5S/c1-20(2)38(3)27-13-11-23(16-21(27)19-45(43,44)24-8-5-4-6-9-24)36-28(40)18-35-29(41)25-17-22(31(32,33)34)10-12-26(25)37-30(42)39-14-7-15-39/h4-6,8-10,12,17,20-21,23,27H,7,11,13-16,18-19H2,1-3H3,(H,35,41)(H,36,40)(H,37,42)/t21-,23+,27-/m1/s1
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| InChIKey |
OTVGKTJOMMZKIN-MRCUYLHHSA-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