General Information of the Compound
| Compound ID |
CP0947437
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| Compound Name |
1-[5-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichloro-phenyl)-4-(dimethyl-hydrazono)-pentyl]-4-phenyl-piperidin-4-ol
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| Structure |
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| Formula |
C33H35Cl2F6N3O2
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| Molecular Weight |
690.556
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| Canonical SMILES |
CN(C)/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C33H35Cl2F6N3O2/c1-43(2)42-30(21-46-20-22-16-25(32(36,37)38)19-26(17-22)33(39,40)41)27(23-8-9-28(34)29(35)18-23)10-13-44-14-11-31(45,12-15-44)24-6-4-3-5-7-24/h3-9,16-19,27,45H,10-15,20-21H2,1-2H3/b42-30+
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| InChIKey |
OFLFUJXENIVSMT-OJZPPULMSA-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