General Information of the Compound
| Compound ID |
CP0867129
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| Compound Name |
12-Chloro-9-cyclopentyloxy-5H-6-thia-4,5-diaza-chrysene 6,6-dioxide
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| Structure |
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| Formula |
C20H17ClN2O3S
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| Molecular Weight |
400.887
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| Canonical SMILES |
O=S1(=O)Nc2c(cc(Cl)c3cccnc23)-c2cc(OC3CCCC3)ccc21
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| InChI |
InChI=1S/C20H17ClN2O3S/c21-17-11-16-15-10-13(26-12-4-1-2-5-12)7-8-18(15)27(24,25)23-20(16)19-14(17)6-3-9-22-19/h3,6-12,23H,1-2,4-5H2
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| InChIKey |
YSSHOFAEEHPSFL-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