General Information of the Compound
| Compound ID |
CP0889346
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| Compound Name |
N-(Benzothiazol-2-yl)-5-(4-(2,4-dichlorophenyl)piperazin-1-yl)pentanamide hydrochloride
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| Structure |
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| Formula |
C22H25Cl3N4OS
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| Molecular Weight |
499.895
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| Canonical SMILES |
Cl.O=C(CCCCN1CCN(c2ccc(Cl)cc2Cl)CC1)Nc1nc2ccccc2s1
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| InChI |
InChI=1S/C22H24Cl2N4OS.ClH/c23-16-8-9-19(17(24)15-16)28-13-11-27(12-14-28)10-4-3-7-21(29)26-22-25-18-5-1-2-6-20(18)30-22;/h1-2,5-6,8-9,15H,3-4,7,10-14H2,(H,25,26,29);1H
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| InChIKey |
UOVWQDUPAVHBNH-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