General Information of the Compound
| Compound ID |
CP0518469
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| Compound Name |
US9388162, 24
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| Structure |
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| Formula |
C28H33NO4
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| Molecular Weight |
447.575
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| Canonical SMILES |
COc1ccc2C[C@@H]3C4[C@@H](O)[C@H](OCc5ccccc5)C(=O)C[C@]4(CCN3CC3CC3)c2c1
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| InChI |
InChI=1S/C28H33NO4/c1-32-21-10-9-20-13-23-25-26(31)27(33-17-19-5-3-2-4-6-19)24(30)15-28(25,22(20)14-21)11-12-29(23)16-18-7-8-18/h2-6,9-10,14,18,23,25-27,31H,7-8,11-13,15-17H2,1H3/t23-,25?,26-,27-,28-/m1/s1
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| InChIKey |
LVWDHTDCRUGTTN-CTEIROQNSA-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