General Information of the Compound
| Compound ID |
CP0117061
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| Compound Name |
US9242977, 66-28
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| Structure |
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| Formula |
C33H33N9O4S
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| Molecular Weight |
651.753
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| Canonical SMILES |
CC(=O)Nc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cnc(Oc2ccc(cc2)-c2cnc(s2)N2CCCC2=O)nc1)C(C)(C)C
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| InChI |
InChI=1S/C33H33N9O4S/c1-20(43)37-22-9-11-24(12-10-22)42-28(16-27(40-42)33(2,3)4)39-30(45)38-23-17-34-31(35-18-23)46-25-13-7-21(8-14-25)26-19-36-32(47-26)41-15-5-6-29(41)44/h7-14,16-19H,5-6,15H2,1-4H3,(H,37,43)(H2,38,39,45)
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| InChIKey |
RXPVDMFKDRRCOF-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