General Information of the Compound
| Compound ID |
CP0410752
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| Compound Name |
1-[4-(2,3-dichlorophenyl)piperazin-1-yl]-4-(4-quinolin-6-yltriazol-1-yl)butan-2-ol
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| Structure |
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| Formula |
C25H26Cl2N6O
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| Molecular Weight |
497.43
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| Canonical SMILES |
OC(CCn1cc(nn1)-c1ccc2ncccc2c1)CN1CCN(CC1)c1cccc(Cl)c1Cl
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| InChI |
InChI=1S/C25H26Cl2N6O/c26-21-4-1-5-24(25(21)27)32-13-11-31(12-14-32)16-20(34)8-10-33-17-23(29-30-33)19-6-7-22-18(15-19)3-2-9-28-22/h1-7,9,15,17,20,34H,8,10-14,16H2
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| InChIKey |
VVNKMNCWRHQTDH-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