General Information of the Compound
| Compound ID |
CP0847873
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| Compound Name |
N-(Benzothiazol-2-yl)-5-(4-(2-fluorophenyl)piperazin-1-yl)pentanamide
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| Structure |
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| Formula |
C22H25FN4OS
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| Molecular Weight |
412.534
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| Canonical SMILES |
O=C(CCCCN1CCN(c2ccccc2F)CC1)Nc1nc2ccccc2s1
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| InChI |
InChI=1S/C22H25FN4OS/c23-17-7-1-3-9-19(17)27-15-13-26(14-16-27)12-6-5-11-21(28)25-22-24-18-8-2-4-10-20(18)29-22/h1-4,7-10H,5-6,11-16H2,(H,24,25,28)
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| InChIKey |
WLVJOKBDUFEGAQ-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