General Information of the Compound
| Compound ID |
CP0179232
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| Compound Name |
9-(2-chlorophenyl)-6-methyl-13-methylsulfanyl-2,4,5,8,12,14-hexazatricyclo[8.4.0.03,7]tetradeca-1(14),3,6,8,10,12-hexaene
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| Structure |
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| Formula |
C16H13ClN6S
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| Molecular Weight |
356.842
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| Canonical SMILES |
CSc1ncc2c(Nc3n[nH]c(C)c3N=C2c2ccccc2Cl)n1
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| InChI |
InChI=1S/C16H13ClN6S/c1-8-12-15(23-22-8)20-14-10(7-18-16(21-14)24-2)13(19-12)9-5-3-4-6-11(9)17/h3-7H,1-2H3,(H2,18,20,21,22,23)
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| InChIKey |
MXUDIOKQCGEJOI-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