General Information of the Compound
| Compound ID |
CP0381741
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| Compound Name |
1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-(4-phenyltriazol-1-yl)butan-2-ol
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| Structure |
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| Formula |
C23H29N5O2
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| Molecular Weight |
407.518
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| Canonical SMILES |
COc1ccccc1N1CCN(CC(O)CCn2cc(nn2)-c2ccccc2)CC1
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| InChI |
InChI=1S/C23H29N5O2/c1-30-23-10-6-5-9-22(23)27-15-13-26(14-16-27)17-20(29)11-12-28-18-21(24-25-28)19-7-3-2-4-8-19/h2-10,18,20,29H,11-17H2,1H3
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| InChIKey |
KOKVPXWLCVIJPN-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor