General Information of the Compound
| Compound ID |
CP0507283
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| Compound Name |
US9388162, 46
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| Structure |
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| Formula |
C23H31NO4
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| Molecular Weight |
385.504
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| Canonical SMILES |
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)[C@@H](CCO)C[C@@]34O)c2c1
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| InChI |
InChI=1S/C23H31NO4/c1-28-18-5-4-16-10-21-23(27)12-17(6-9-25)20(26)13-22(23,19(16)11-18)7-8-24(21)14-15-2-3-15/h4-5,11,15,17,21,25,27H,2-3,6-10,12-14H2,1H3/t17-,21+,22+,23+/m0/s1
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| InChIKey |
WCTMMHOXMUBVQK-XCYUPCBOSA-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