General Information of the Compound
| Compound ID |
CP0507558
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| Compound Name |
2-(3,5-Bis-trifluoromethyl-phenyl)-N-[4-(1,4-dioxa-8-aza-spiro[4.5]dec-8-yl)-1-phenyl-cyclohexyl]-propionamide
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| Formula |
C30H34F6N2O3
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| Molecular Weight |
584.601
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| Canonical SMILES |
CC(C(=O)N[C@]1(CC[C@@H](CC1)N1CCC2(CC1)OCCO2)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C30H34F6N2O3/c1-20(21-17-23(29(31,32)33)19-24(18-21)30(34,35)36)26(39)37-27(22-5-3-2-4-6-22)9-7-25(8-10-27)38-13-11-28(12-14-38)40-15-16-41-28/h2-6,17-20,25H,7-16H2,1H3,(H,37,39)/t20?,25-,27-
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| InChIKey |
PWYQZXIMGCRVMM-LSLXJTAPSA-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