General Information of the Compound
| Compound ID |
CP0541313
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| Compound Name |
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(methanesulfonamido)-4-spiro[indene-1,4'-piperidine]-1'-ylbutanamide
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| Structure |
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| Formula |
C27H29F6N3O3S
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| Molecular Weight |
589.602
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| Canonical SMILES |
CS(=O)(=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/C27H29F6N3O3S/c1-40(38,39)35-23(7-11-36-12-9-25(10-13-36)8-6-19-4-2-3-5-22(19)25)24(37)34-17-18-14-20(26(28,29)30)16-21(15-18)27(31,32)33/h2-6,8,14-16,23,35H,7,9-13,17H2,1H3,(H,34,37)
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| InChIKey |
QTHFFZVJRFWNKK-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