General Information of the Compound
| Compound ID |
CP0077356
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| Compound Name |
2-[4-[4-(4-chlorophenyl)-1,4-diazepan-1-yl]butyl]-1,3-benzothiazole
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| Structure |
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| Formula |
C22H26ClN3S
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| Molecular Weight |
399.991
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| Canonical SMILES |
Clc1ccc(cc1)N1CCCN(CCCCc2nc3ccccc3s2)CC1
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| InChI |
InChI=1S/C22H26ClN3S/c23-18-9-11-19(12-10-18)26-15-5-14-25(16-17-26)13-4-3-8-22-24-20-6-1-2-7-21(20)27-22/h1-2,6-7,9-12H,3-5,8,13-17H2
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| InChIKey |
UNTNFKPMHAXOEK-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