General Information of the Compound
| Compound ID |
CP0400779
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| Compound Name |
N-[2-[[2-[[(1S,3S,4R)-3-(benzenesulfonylmethyl)-4-(ethylamino)cyclohexyl]amino]-2-oxoethyl]carbamoyl]-4-(trifluoromethyl)phenyl]azetidine-1-carboxamide
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| Structure |
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| Formula |
C29H36F3N5O5S
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| Molecular Weight |
623.698
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| Canonical SMILES |
CCN[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/C29H36F3N5O5S/c1-2-33-24-12-10-21(15-19(24)18-43(41,42)22-7-4-3-5-8-22)35-26(38)17-34-27(39)23-16-20(29(30,31)32)9-11-25(23)36-28(40)37-13-6-14-37/h3-5,7-9,11,16,19,21,24,33H,2,6,10,12-15,17-18H2,1H3,(H,34,39)(H,35,38)(H,36,40)/t19-,21+,24-/m1/s1
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| InChIKey |
SIIBLYWXKABCAD-NHCICSSKSA-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