General Information of the Compound
| Compound ID |
CP0449018
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| Compound Name |
1-((1H-indazol-3-yl)methyl)-4-(3,4-dichlorophenyl)piperidin-4-ol
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| Structure |
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| Formula |
C19H19Cl2N3O
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| Molecular Weight |
376.287
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| Canonical SMILES |
OC1(CCN(Cc2n[nH]c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C19H19Cl2N3O/c20-15-6-5-13(11-16(15)21)19(25)7-9-24(10-8-19)12-18-14-3-1-2-4-17(14)22-23-18/h1-6,11,25H,7-10,12H2,(H,22,23)
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| InChIKey |
XGVOVCYYDQWLJC-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