General Information of the Compound
| Compound ID |
CP0086067
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| Compound Name |
BAY 59-7939 Analog 15
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| Structure |
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| Formula |
C20H22ClN3O4S
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| Molecular Weight |
435.933
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| Canonical SMILES |
Cc1cc(ccc1N1C[C@H](CNC(=O)c2ccc(Cl)s2)OC1=O)N1CCOCC1
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| InChI |
InChI=1S/C20H22ClN3O4S/c1-13-10-14(23-6-8-27-9-7-23)2-3-16(13)24-12-15(28-20(24)26)11-22-19(25)17-4-5-18(21)29-17/h2-5,10,15H,6-9,11-12H2,1H3,(H,22,25)/t15-/m0/s1
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| InChIKey |
OYFFEZUIIXCYJD-HNNXBMFYSA-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