General Information of the Compound
| Compound ID |
CP0107095
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| Compound Name |
5-[4-[4-(2,3-dichlorophenyl)-1,4-diazepan-1-yl]butoxy]-1,3-benzothiazole
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| Structure |
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| Formula |
C22H25Cl2N3OS
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| Molecular Weight |
450.435
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| Canonical SMILES |
Clc1cccc(N2CCCN(CCCCOc3ccc4scnc4c3)CC2)c1Cl
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| InChI |
InChI=1S/C22H25Cl2N3OS/c23-18-5-3-6-20(22(18)24)27-11-4-10-26(12-13-27)9-1-2-14-28-17-7-8-21-19(15-17)25-16-29-21/h3,5-8,15-16H,1-2,4,9-14H2
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| InChIKey |
WYMJRTXYUOPUMF-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