General Information of the Compound
| Compound ID |
CP0400539
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| Compound Name |
US8969325, 223
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| Structure |
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| Formula |
C23H27N3O3
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| Molecular Weight |
393.487
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| Canonical SMILES |
CCC1(CC)C[C@@H](NC(=O)Nc2ccc3CCC(=O)Nc3c2)c2ccccc2O1
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| InChI |
InChI=1S/C23H27N3O3/c1-3-23(4-2)14-19(17-7-5-6-8-20(17)29-23)26-22(28)24-16-11-9-15-10-12-21(27)25-18(15)13-16/h5-9,11,13,19H,3-4,10,12,14H2,1-2H3,(H,25,27)(H2,24,26,28)/t19-/m1/s1
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| InChIKey |
HGFYJVGWOLWGGK-LJQANCHMSA-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