General Information of the Compound
| Compound ID |
CP0961011
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| Compound Name |
1-(12-Chloro-6,6-dioxo-5,6-dihydro-6lambda6-thia-4,5-diaza-chrysen-9-yl)-piperidin-4-ol
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| Structure |
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| Formula |
C20H18ClN3O3S
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| Molecular Weight |
415.902
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| Canonical SMILES |
O=S1(=O)Nc2c(cc(Cl)c3cccnc23)-c2cc(N3CCC(O)CC3)ccc21
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| InChI |
InChI=1S/C20H18ClN3O3S/c21-17-11-16-15-10-12(24-8-5-13(25)6-9-24)3-4-18(15)28(26,27)23-20(16)19-14(17)2-1-7-22-19/h1-4,7,10-11,13,23,25H,5-6,8-9H2
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| InChIKey |
MEXJNVCCWNUUOZ-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