General Information of the Compound
| Compound ID |
CP0564028
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| Compound Name |
US9187424, 174
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| Structure |
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| Formula |
C30H39N3O4
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| Molecular Weight |
505.659
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| Canonical SMILES |
CCCCCCCCNC(=O)C1(C)CC(=C(C(=O)Nc2ccc(OC)cc2)C(=O)N1)c1ccc(C)cc1
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| InChI |
InChI=1S/C30H39N3O4/c1-5-6-7-8-9-10-19-31-29(36)30(3)20-25(22-13-11-21(2)12-14-22)26(28(35)33-30)27(34)32-23-15-17-24(37-4)18-16-23/h11-18H,5-10,19-20H2,1-4H3,(H,31,36)(H,32,34)(H,33,35)
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| InChIKey |
UZYVLBWHHFDRJQ-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