General Information of the Compound
| Compound ID |
CP0571556
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| Compound Name |
N-benzyl-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1,2-benzothiazol-5-amine
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| Formula |
C19H17ClN4S
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| Molecular Weight |
368.893
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| Canonical SMILES |
Cn1c(Cl)cnc1CN(Cc1ccccc1)c1ccc2sncc2c1
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| InChI |
InChI=1S/C19H17ClN4S/c1-23-18(20)11-21-19(23)13-24(12-14-5-3-2-4-6-14)16-7-8-17-15(9-16)10-22-25-17/h2-11H,12-13H2,1H3
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| InChIKey |
CPTNKPNRRSCASM-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