General Information of the Compound
| Compound ID |
CP0576546
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| Compound Name |
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-N-(cyclopropylmethyl)-1,2-benzothiazol-5-amine
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| Formula |
C16H17ClN4S
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| Molecular Weight |
332.86
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| Canonical SMILES |
Cn1c(Cl)cnc1CN(CC1CC1)c1ccc2sncc2c1
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| InChI |
InChI=1S/C16H17ClN4S/c1-20-15(17)8-18-16(20)10-21(9-11-2-3-11)13-4-5-14-12(6-13)7-19-22-14/h4-8,11H,2-3,9-10H2,1H3
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| InChIKey |
DQVDFZIOWOXRSB-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