General Information of the Compound
| Compound ID |
CP0959850
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| Compound Name |
(6,6-Dioxo-5,6-dihydro-6lambda6-thia-4,5-diaza-chrysen-12-yl)-(2-methoxy-ethyl)-amine
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| Structure |
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| Formula |
C18H17N3O3S
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| Molecular Weight |
355.419
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| Canonical SMILES |
COCCNc1cc2c(c3ncccc13)NS(=O)(=O)c1ccccc1-2
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| InChI |
InChI=1S/C18H17N3O3S/c1-24-10-9-19-15-11-14-12-5-2-3-7-16(12)25(22,23)21-18(14)17-13(15)6-4-8-20-17/h2-8,11,19,21H,9-10H2,1H3
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| InChIKey |
IIZCOWMJKCKTDD-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