General Information of the Compound
| Compound ID |
CP0052500
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| Compound Name |
[4-[[2-[3-methyl-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]phenoxy]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone
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| Structure |
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| Formula |
C34H33N5O2
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| Molecular Weight |
543.671
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| Canonical SMILES |
CN1CCN(CC1)C(=O)c1ccc(COc2ccccc2-n2c(C)nnc2-c2ccc(cc2)-c2ccccc2)cc1
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| InChI |
InChI=1S/C34H33N5O2/c1-25-35-36-33(29-18-16-28(17-19-29)27-8-4-3-5-9-27)39(25)31-10-6-7-11-32(31)41-24-26-12-14-30(15-13-26)34(40)38-22-20-37(2)21-23-38/h3-19H,20-24H2,1-2H3
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| InChIKey |
MEDYXWWEPBZLAH-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
Protein ID: PT01839, Vasopressin V1a receptor
Protein ID: PT01648, Vasopressin V2 receptor