General Information of the Compound
| Compound ID |
CP0572321
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| Compound Name |
US9221831, 88
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| Structure |
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| Formula |
C34H40N2O4
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| Molecular Weight |
540.704
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| Canonical SMILES |
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35[C@@H](CC#N)[C@@H]1COCc1ccccc1)OC
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| InChI |
InChI=1S/C34H40N2O4/c1-37-27-11-10-24-18-28-32-13-14-34(38-2,26(25(32)12-16-35)21-39-20-23-6-4-3-5-7-23)31-33(32,29(24)30(27)40-31)15-17-36(28)19-22-8-9-22/h3-7,10-11,22,25-26,28,31H,8-9,12-15,17-21H2,1-2H3/t25-,26-,28+,31+,32+,33-,34+/m0/s1
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| InChIKey |
GHJDGUFCJHZWJH-DBDNVJONSA-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