General Information of the Compound
| Compound ID |
CP0246871
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| Compound Name |
(S)-2-(4-acetamido-3-oxo-4,5-dihydro-1H-benzo[c]azepin-2(3H)-yl)-N-(3,5-bis(trifluoromethyl)benzyl)-N-methylacetamide
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| Structure |
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| Formula |
C24H23F6N3O3
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| Molecular Weight |
515.454
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| Canonical SMILES |
CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)CN1Cc2ccccc2C[C@H](NC(C)=O)C1=O
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| InChI |
InChI=1S/C24H23F6N3O3/c1-14(34)31-20-9-16-5-3-4-6-17(16)12-33(22(20)36)13-21(35)32(2)11-15-7-18(23(25,26)27)10-19(8-15)24(28,29)30/h3-8,10,20H,9,11-13H2,1-2H3,(H,31,34)/t20-/m0/s1
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| InChIKey |
QJHLLGCMNXHDQT-FQEVSTJZSA-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