General Information of the Compound
| Compound ID |
CP0551299
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| Compound Name |
US8969358, 113
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| Structure |
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| Formula |
C35H43N3O6
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| Molecular Weight |
601.744
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| Canonical SMILES |
CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
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| InChI |
InChI=1S/C35H43N3O6/c1-20(39)37-26(15-21-5-8-25(40)9-6-21)31(42)36-18-24-17-33-11-12-35(24,43-2)32-34(33)13-14-38(19-22-3-4-22)28(33)16-23-7-10-27(41)30(44-32)29(23)34/h5-10,22,24,26,28,32,40-41H,3-4,11-19H2,1-2H3,(H,36,42)(H,37,39)/t24-,26+,28-,32-,33-,34+,35-/m1/s1
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| InChIKey |
DLJBVTKQMCGQIE-JEUHCOABSA-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