General Information of the Compound
| Compound ID |
CP0867131
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| Compound Name |
(12-Chloro-6,6-dioxo-5,6-dihydro-6lambda6-thia-4,5-diaza-chrysen-9-yl)-(4-hydroxy-piperidin-1-yl)-methanone
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| Structure |
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| Formula |
C21H18ClN3O4S
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| Molecular Weight |
443.912
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| Canonical SMILES |
O=C(c1ccc2c(c1)-c1cc(Cl)c3cccnc3c1NS2(=O)=O)N1CCC(O)CC1
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| InChI |
InChI=1S/C21H18ClN3O4S/c22-17-11-16-15-10-12(21(27)25-8-5-13(26)6-9-25)3-4-18(15)30(28,29)24-20(16)19-14(17)2-1-7-23-19/h1-4,7,10-11,13,24,26H,5-6,8-9H2
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| InChIKey |
JUASIPKTLKPTRB-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