General Information of the Compound
| Compound ID |
CP0478259
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| Compound Name |
US9221831, 94
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| Structure |
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| Formula |
C34H42N2O5
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| Molecular Weight |
558.719
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| Canonical SMILES |
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(NC(C)=O)cc1)OC
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| InChI |
InChI=1S/C34H42N2O5/c1-21(37)35-26-9-6-23(7-10-26)19-40-20-25-17-32-12-13-34(25,39-3)31-33(32)14-15-36(18-22-4-5-22)28(32)16-24-8-11-27(38-2)30(41-31)29(24)33/h6-11,22,25,28,31H,4-5,12-20H2,1-3H3,(H,35,37)/t25-,28-,31-,32-,33+,34-/m1/s1
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| InChIKey |
ZPOAUFCILBOBJR-SVMMDPMYSA-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