General Information of the Compound
| Compound ID |
CP0464513
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| Compound Name |
(S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-(azepan-1-yl)ethylamino)-2-phenylacetamide
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| Structure |
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| Formula |
C25H29F6N3O
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| Molecular Weight |
501.515
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| Canonical SMILES |
FC(F)(F)c1cc(CNC(=O)[C@@H](NCCN2CCCCCC2)c2ccccc2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C25H29F6N3O/c26-24(27,28)20-14-18(15-21(16-20)25(29,30)31)17-33-23(35)22(19-8-4-3-5-9-19)32-10-13-34-11-6-1-2-7-12-34/h3-5,8-9,14-16,22,32H,1-2,6-7,10-13,17H2,(H,33,35)/t22-/m0/s1
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| InChIKey |
VMOJBBXFYCGPAL-QFIPXVFZSA-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