General Information of the Compound
| Compound ID |
CP0397790
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| Compound Name |
1-[4-(2,3-dichlorophenyl)piperazin-1-yl]-4-(4-naphthalen-2-yltriazol-1-yl)butan-2-ol
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| Structure |
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| Formula |
C26H27Cl2N5O
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| Molecular Weight |
496.442
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| Canonical SMILES |
OC(CCn1cc(nn1)-c1ccc2ccccc2c1)CN1CCN(CC1)c1cccc(Cl)c1Cl
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| InChI |
InChI=1S/C26H27Cl2N5O/c27-23-6-3-7-25(26(23)28)32-14-12-31(13-15-32)17-22(34)10-11-33-18-24(29-30-33)21-9-8-19-4-1-2-5-20(19)16-21/h1-9,16,18,22,34H,10-15,17H2
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| InChIKey |
NABRVDOPGSXUEG-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