General Information of the Compound
| Compound ID |
CP0385459
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| Compound Name |
US10047103, 237
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| Structure |
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| Formula |
C31H27N7O5S2
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| Molecular Weight |
641.735
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| Canonical SMILES |
COc1cc(OCc2csc(n2)N2CCN(CC2)S(=O)(=O)c2ccc(cc2)C#N)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
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| InChI |
InChI=1S/C31H27N7O5S2/c1-20-3-8-30-34-26(17-38(30)35-20)29-15-25-27(13-23(41-2)14-28(25)43-29)42-18-22-19-44-31(33-22)36-9-11-37(12-10-36)45(39,40)24-6-4-21(16-32)5-7-24/h3-8,13-15,17,19H,9-12,18H2,1-2H3
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| InChIKey |
MNLKQPCYJFNGAD-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