General Information of the Compound
| Compound ID |
CP0538920
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| Compound Name |
US10047103, 241
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| Structure |
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| Formula |
C30H25ClN4O4S
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| Molecular Weight |
573.074
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| Canonical SMILES |
COc1cc(OCc2csc(n2)C2(CCOC2)c2ccc(Cl)cc2)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
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| InChI |
InChI=1S/C30H25ClN4O4S/c1-18-3-8-28-33-24(14-35(28)34-18)27-13-23-25(11-22(36-2)12-26(23)39-27)38-15-21-16-40-29(32-21)30(9-10-37-17-30)19-4-6-20(31)7-5-19/h3-8,11-14,16H,9-10,15,17H2,1-2H3
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| InChIKey |
VMZQNTQSJFQWHE-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