General Information of the Compound
| Compound ID |
CP0452478
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| Compound Name |
8-chloro-15-methyl-N-(1,3-thiazol-2-yl)tetracyclo[6.6.2.0^{2,7}.0^{9,14}]hexadeca-2,4,6,9(14),10,12-hexaene-15-carboxamide
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| Structure |
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| Formula |
C21H17ClN2OS
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| Molecular Weight |
380.9
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| Canonical SMILES |
CC1(CC2(Cl)c3ccccc3C1c1ccccc21)C(=O)Nc1nccs1
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| InChI |
InChI=1S/C21H17ClN2OS/c1-20(18(25)24-19-23-10-11-26-19)12-21(22)15-8-4-2-6-13(15)17(20)14-7-3-5-9-16(14)21/h2-11,17H,12H2,1H3,(H,23,24,25)
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| InChIKey |
WCGWHIDLIWSKKP-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