General Information of the Compound
| Compound ID |
CP0429135
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| Compound Name |
US8541380, 20
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| Structure |
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| Formula |
C20H20ClN3O5S
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| Molecular Weight |
449.916
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| Canonical SMILES |
OC[C@H]1OC([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2nnc(s2)-c2ccncc2)c1
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| InChI |
InChI=1S/C20H20ClN3O5S/c21-13-2-1-11(19-18(28)17(27)16(26)14(9-25)29-19)7-12(13)8-15-23-24-20(30-15)10-3-5-22-6-4-10/h1-7,14,16-19,25-28H,8-9H2/t14-,16-,17+,18-,19?/m1/s1
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| InChIKey |
BHRXRPCGZDBXDJ-ILNABNIYSA-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