General Information of the Compound
| Compound ID |
CP0952472
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| Compound Name |
(12-Chloro-6,6-dioxo-5,6-dihydro-6lambda6-thia-4,5-diaza-chrysen-9-yl)-morpholin-4-yl-methanone
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| Structure |
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| Formula |
C20H16ClN3O4S
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| Molecular Weight |
429.885
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| Canonical SMILES |
O=C(c1ccc2c(c1)-c1cc(Cl)c3cccnc3c1NS2(=O)=O)N1CCOCC1
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| InChI |
InChI=1S/C20H16ClN3O4S/c21-16-11-15-14-10-12(20(25)24-6-8-28-9-7-24)3-4-17(14)29(26,27)23-19(15)18-13(16)2-1-5-22-18/h1-5,10-11,23H,6-9H2
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| InChIKey |
QIGDBJSXXTXKPO-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