General Information of the Compound
| Compound ID |
CP0515959
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| Compound Name |
(2S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(4-fluorophenyl)-4-(3-methyl-4-phenylpiperazin-1-yl)butanamide
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| Structure |
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| Formula |
C30H30F7N3O
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| Molecular Weight |
581.576
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| Canonical SMILES |
CC1CN(CC[C@H](C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2ccc(F)cc2)CCN1c1ccccc1
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| InChI |
InChI=1S/C30H30F7N3O/c1-20-19-39(13-14-40(20)26-5-3-2-4-6-26)12-11-27(22-7-9-25(31)10-8-22)28(41)38-18-21-15-23(29(32,33)34)17-24(16-21)30(35,36)37/h2-10,15-17,20,27H,11-14,18-19H2,1H3,(H,38,41)/t20?,27-/m0/s1
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| InChIKey |
LLLAHIJDQPQIHR-OHMHCFLMSA-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