General Information of the Compound
| Compound ID |
CP0113134
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| Compound Name |
4-N-(1,3-benzothiazol-6-yl)-6-chloro-2-N-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamine
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| Structure |
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| Formula |
C19H17ClN6S
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| Molecular Weight |
396.907
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| Canonical SMILES |
CC(C)(Nc1nc(Cl)nc(Nc2ccc3ncsc3c2)n1)c1ccccc1
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| InChI |
InChI=1S/C19H17ClN6S/c1-19(2,12-6-4-3-5-7-12)26-18-24-16(20)23-17(25-18)22-13-8-9-14-15(10-13)27-11-21-14/h3-11H,1-2H3,(H2,22,23,24,25,26)
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| InChIKey |
HQOINTNTCVFCFZ-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