General Information of the Compound
| Compound ID |
CP0177241
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| Compound Name |
tert-butyl N-[(2R)-1-[[(3R)-7-chloro-2-oxo-1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-1-oxo-3-[2-(trifluoromethoxy)phenyl]propan-2-yl]carbamate
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| Structure |
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| Formula |
C28H33ClF3N3O5
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| Molecular Weight |
584.035
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| Canonical SMILES |
CC(C)N1c2ccc(Cl)cc2CC[C@@H](NC(=O)[C@@H](Cc2ccccc2OC(F)(F)F)NC(=O)OC(C)(C)C)C1=O
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| InChI |
InChI=1S/C28H33ClF3N3O5/c1-16(2)35-22-13-11-19(29)14-17(22)10-12-20(25(35)37)33-24(36)21(34-26(38)40-27(3,4)5)15-18-8-6-7-9-23(18)39-28(30,31)32/h6-9,11,13-14,16,20-21H,10,12,15H2,1-5H3,(H,33,36)(H,34,38)/t20-,21-/m1/s1
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| InChIKey |
KQCIXWJDYKRHJA-NHCUHLMSSA-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