General Information of the Compound
| Compound ID |
CP0450025
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| Compound Name |
US9187424, 173
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| Structure |
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| Formula |
C38H55N3O4
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| Molecular Weight |
617.875
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| Canonical SMILES |
CCCCCCCCCCCCCCCCNC(=O)C1(C)CC(=C(C(=O)Nc2ccc(OC)cc2)C(=O)N1)c1ccc(C)cc1
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| InChI |
InChI=1S/C38H55N3O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-39-37(44)38(3)28-33(30-21-19-29(2)20-22-30)34(36(43)41-38)35(42)40-31-23-25-32(45-4)26-24-31/h19-26H,5-18,27-28H2,1-4H3,(H,39,44)(H,40,42)(H,41,43)
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| InChIKey |
CDCNMEKATACZJP-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