General Information of the Compound
| Compound ID |
CP0274723
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| Compound Name |
1-methyl-4-[6-[3-methyl-2-[3-methyl-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]phenoxy]hexyl]piperazine
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| Structure |
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| Formula |
C33H41N5O
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| Molecular Weight |
523.725
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| Canonical SMILES |
CN1CCN(CCCCCCOc2cccc(C)c2-n2c(C)nnc2-c2ccc(cc2)-c2ccccc2)CC1
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| InChI |
InChI=1S/C33H41N5O/c1-26-12-11-15-31(39-25-10-5-4-9-20-37-23-21-36(3)22-24-37)32(26)38-27(2)34-35-33(38)30-18-16-29(17-19-30)28-13-7-6-8-14-28/h6-8,11-19H,4-5,9-10,20-25H2,1-3H3
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| InChIKey |
WYFKUBJWMBRINL-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