General Information of the Compound
| Compound ID |
CP0491674
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| Compound Name |
US9187424, 161
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| Structure |
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| Formula |
C33H37N3O4
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| Molecular Weight |
539.676
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| Canonical SMILES |
CCCCCNC(=O)c1ccc(cc1)C1(C)CC(=C(C(=O)Nc2ccc(OC)cc2)C(=O)N1)c1ccc(C)cc1
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| InChI |
InChI=1S/C33H37N3O4/c1-5-6-7-20-34-30(37)24-12-14-25(15-13-24)33(3)21-28(23-10-8-22(2)9-11-23)29(32(39)36-33)31(38)35-26-16-18-27(40-4)19-17-26/h8-19H,5-7,20-21H2,1-4H3,(H,34,37)(H,35,38)(H,36,39)
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| InChIKey |
NIAOUQLOONCMCI-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