General Information of the Compound
| Compound ID |
CP0891807
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| Compound Name |
N-(1,3-Benzothiazol-5-yl)-2-(piperidin-1-ylmethyl)biphenyl-4-carboxamide hydrochloride
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| Structure |
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| Formula |
C26H26ClN3OS
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| Molecular Weight |
464.034
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| Canonical SMILES |
Cl.O=C(Nc1ccc2scnc2c1)c1ccc(-c2ccccc2)c(CN2CCCCC2)c1
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| InChI |
InChI=1S/C26H25N3OS.ClH/c30-26(28-22-10-12-25-24(16-22)27-18-31-25)20-9-11-23(19-7-3-1-4-8-19)21(15-20)17-29-13-5-2-6-14-29;/h1,3-4,7-12,15-16,18H,2,5-6,13-14,17H2,(H,28,30);1H
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| InChIKey |
HOFILXPLCIWHJW-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