General Information of the Compound
| Compound ID |
CP0142787
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| Compound Name |
2-[3-[4-(4-chlorophenyl)-1,4-diazepan-1-yl]propyl]-1,3-benzothiazole
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| Structure |
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| Formula |
C21H24ClN3S
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| Molecular Weight |
385.964
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| Canonical SMILES |
Clc1ccc(cc1)N1CCCN(CCCc2nc3ccccc3s2)CC1
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| InChI |
InChI=1S/C21H24ClN3S/c22-17-8-10-18(11-9-17)25-14-4-13-24(15-16-25)12-3-7-21-23-19-5-1-2-6-20(19)26-21/h1-2,5-6,8-11H,3-4,7,12-16H2
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| InChIKey |
OUSOPIMSKOMYQI-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