General Information of the Compound
| Compound ID |
CP0867130
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| Compound Name |
12-Chloro-6,6-dioxo-5,6-dihydro-6lambda6-thia-4,5-diaza-chrysene-9-carboxylicaciddimethylamide
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| Structure |
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| Formula |
C18H14ClN3O3S
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| Molecular Weight |
387.848
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| Canonical SMILES |
CN(C)C(=O)c1ccc2c(c1)-c1cc(Cl)c3cccnc3c1NS2(=O)=O
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| InChI |
InChI=1S/C18H14ClN3O3S/c1-22(2)18(23)10-5-6-15-12(8-10)13-9-14(19)11-4-3-7-20-16(11)17(13)21-26(15,24)25/h3-9,21H,1-2H3
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| InChIKey |
JDKNCYCVLXPTGT-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