General Information of the Compound
| Compound ID |
CP0528177
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| Compound Name |
N-[1-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-1-oxo-4-spiro[indene-1,4'-piperidine]-1'-ylbutan-2-yl]-2-oxoimidazolidine-4-carboxamide
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| Structure |
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| Formula |
C30H31F6N5O3
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| Molecular Weight |
623.598
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| Canonical SMILES |
FC(F)(F)c1cc(CNC(=O)C(CCN2CCC3(CC2)C=Cc2ccccc32)NC(=O)C2CNC(=O)N2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C30H31F6N5O3/c31-29(32,33)20-13-18(14-21(15-20)30(34,35)36)16-37-25(42)23(39-26(43)24-17-38-27(44)40-24)6-10-41-11-8-28(9-12-41)7-5-19-3-1-2-4-22(19)28/h1-5,7,13-15,23-24H,6,8-12,16-17H2,(H,37,42)(H,39,43)(H2,38,40,44)
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| InChIKey |
DGMDLJBNPFXPTQ-UHFFFAOYSA-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