General Information of the Compound
| Compound ID |
CP0519408
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| Compound Name |
6-[2-(3-Biphenyl-4-yl-5-methyl-[1,2,4]triazol-4-yl)-phenoxy]-1-(4-methyl-piperazin-1-yl)-hexan-1-one
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| Structure |
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| Formula |
C32H37N5O2
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| Molecular Weight |
523.681
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| Canonical SMILES |
CN1CCN(CC1)C(=O)CCCCCOc1ccccc1-n1c(C)nnc1-c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C32H37N5O2/c1-25-33-34-32(28-18-16-27(17-19-28)26-11-5-3-6-12-26)37(25)29-13-8-9-14-30(29)39-24-10-4-7-15-31(38)36-22-20-35(2)21-23-36/h3,5-6,8-9,11-14,16-19H,4,7,10,15,20-24H2,1-2H3
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| InChIKey |
BQNUUTOEFJBHRB-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