General Information of the Compound
| Compound ID |
CP0484015
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| Compound Name |
US9221831, 28
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| Structure |
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| Formula |
C32H40N2O3
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| Molecular Weight |
500.683
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| Canonical SMILES |
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1CNCc1ccccc1)OC
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| InChI |
InChI=1S/C32H40N2O3/c1-35-25-11-10-23-16-26-30-12-13-32(36-2,24(17-30)19-33-18-21-6-4-3-5-7-21)29-31(30,27(23)28(25)37-29)14-15-34(26)20-22-8-9-22/h3-7,10-11,22,24,26,29,33H,8-9,12-20H2,1-2H3/t24-,26-,29-,30-,31+,32-/m1/s1
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| InChIKey |
PGANIOBIXBHMAK-BUVWRSTLSA-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