General Information of the Compound
| Compound ID |
CP0541314
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| Compound Name |
methyl N-[1-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-1-oxo-4-spiro[indene-1,4'-piperidine]-1'-ylbutan-2-yl]carbamate
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| Structure |
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| Formula |
C28H29F6N3O3
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| Molecular Weight |
569.546
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| Canonical SMILES |
COC(=O)NC(CCN1CCC2(CC1)C=Cc1ccccc21)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C28H29F6N3O3/c1-40-25(39)36-23(7-11-37-12-9-26(10-13-37)8-6-19-4-2-3-5-22(19)26)24(38)35-17-18-14-20(27(29,30)31)16-21(15-18)28(32,33)34/h2-6,8,14-16,23H,7,9-13,17H2,1H3,(H,35,38)(H,36,39)
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| InChIKey |
MAVBWNPZMIJLIT-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