General Information of the Compound
| Compound ID |
CP0287197
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| Compound Name |
N-[2-[[2-[[(1S,3S,4R)-3-(benzenesulfonylmethyl)-4-(propan-2-ylamino)cyclohexyl]amino]-2-oxoethyl]carbamoyl]-4-(trifluoromethyl)phenyl]azetidine-1-carboxamide
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| Structure |
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| Formula |
C30H38F3N5O5S
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| Molecular Weight |
637.725
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| Canonical SMILES |
CC(C)N[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/C30H38F3N5O5S/c1-19(2)35-25-12-10-22(15-20(25)18-44(42,43)23-7-4-3-5-8-23)36-27(39)17-34-28(40)24-16-21(30(31,32)33)9-11-26(24)37-29(41)38-13-6-14-38/h3-5,7-9,11,16,19-20,22,25,35H,6,10,12-15,17-18H2,1-2H3,(H,34,40)(H,36,39)(H,37,41)/t20-,22+,25-/m1/s1
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| InChIKey |
FLINZDKAJGFTLP-JLRUASKGSA-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