General Information of the Compound
| Compound ID |
CP0393024
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| Compound Name |
2-[1-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-2-(3,4-dichloro-phenyl)-4-(4-hydroxy-4-phenyl-piperidin-1-yl)-but-(Z)-ylideneaminooxy]-N-methyl-acetamide
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| Structure |
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| Formula |
C34H35Cl2F6N3O4
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| Molecular Weight |
734.565
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| Canonical SMILES |
CNC(=O)CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C34H35Cl2F6N3O4/c1-43-31(46)21-49-44-30(20-48-19-22-15-25(33(37,38)39)18-26(16-22)34(40,41)42)27(23-7-8-28(35)29(36)17-23)9-12-45-13-10-32(47,11-14-45)24-5-3-2-4-6-24/h2-8,15-18,27,47H,9-14,19-21H2,1H3,(H,43,46)/b44-30+
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| InChIKey |
XPMCEHNEOJVUFF-KEIOHQPYSA-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: PT01290, Substance-K receptor
Protein ID: PT01410, Substance-P receptor