General Information of the Compound
| Compound ID |
CP0544413
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| Compound Name |
US10047103, 45
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| Structure |
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| Formula |
C30H28N4O6S2
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| Molecular Weight |
604.71
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3nc(sc3C)-c3ccc(cc3)C(=O)OC(C)(C)C)cc(OC)cc2o1
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| InChI |
InChI=1S/C30H28N4O6S2/c1-16-22(31-26(41-16)17-7-9-18(10-8-17)27(35)40-30(2,3)4)15-38-23-11-19(36-5)12-24-20(23)13-25(39-24)21-14-34-28(32-21)42-29(33-34)37-6/h7-14H,15H2,1-6H3
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| InChIKey |
VJTWRONSOCNRSI-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