General Information of the Compound
| Compound ID |
CP0459714
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| Compound Name |
4-((1r,4r)-4-(3-(3,5-bis(trifluoromethyl)phenyl)-2-oxopyrrolidin-1-yl)-4-phenylcyclohexyl)-1-phenylpiperazin-2-one
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| Formula |
C34H33F6N3O2
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| Molecular Weight |
629.645
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| Canonical SMILES |
FC(F)(F)c1cc(cc(c1)C(F)(F)F)C1CCN(C1=O)[C@]1(CC[C@@H](CC1)N1CCN(C(=O)C1)c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C34H33F6N3O2/c35-33(36,37)25-19-23(20-26(21-25)34(38,39)40)29-13-16-43(31(29)45)32(24-7-3-1-4-8-24)14-11-27(12-15-32)41-17-18-42(30(44)22-41)28-9-5-2-6-10-28/h1-10,19-21,27,29H,11-18,22H2/t27-,29?,32-
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| InChIKey |
AILRYHWCZLVQIS-KQXZHLRISA-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
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01410, Substance-P receptor