General Information of the Compound
| Compound ID |
CP0302038
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| Compound Name |
US9242977, 66-19
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| Structure |
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| Formula |
C33H32N8O4S
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| Molecular Weight |
636.738
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| Canonical SMILES |
CC(C)(C)c1cc(NC(=O)Nc2cnc(Oc3ccc(cc3)-c3cnc(s3)N3CCCC3=O)nc2)n(n1)-c1ccc2OCCc2c1
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| InChI |
InChI=1S/C33H32N8O4S/c1-33(2,3)27-16-28(41(39-27)23-8-11-25-21(15-23)12-14-44-25)38-30(43)37-22-17-34-31(35-18-22)45-24-9-6-20(7-10-24)26-19-36-32(46-26)40-13-4-5-29(40)42/h6-11,15-19H,4-5,12-14H2,1-3H3,(H2,37,38,43)
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| InChIKey |
JECCWDHIEUBIRK-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