General Information of the Compound
| Compound ID |
CP0949359
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| Compound Name |
12-Chloro-6,6-dioxo-5,6-dihydro-6lambda6-thia-4,5-diaza-chrysen-9-ylamine
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| Structure |
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| Formula |
C15H10ClN3O2S
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| Molecular Weight |
331.784
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| Canonical SMILES |
Nc1ccc2c(c1)-c1cc(Cl)c3cccnc3c1NS2(=O)=O
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| InChI |
InChI=1S/C15H10ClN3O2S/c16-12-7-11-10-6-8(17)3-4-13(10)22(20,21)19-15(11)14-9(12)2-1-5-18-14/h1-7,19H,17H2
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| InChIKey |
PMJWXTSXTINNDX-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