General Information of the Compound
| Compound ID |
CP0506951
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| Compound Name |
US8969358, 111
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| Structure |
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| Formula |
C35H43N3O5
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| Molecular Weight |
585.745
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| Canonical SMILES |
CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@H](Cc1ccccc1)NC(C)=O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
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| InChI |
InChI=1S/C35H43N3O5/c1-21(39)37-26(16-22-6-4-3-5-7-22)31(41)36-19-25-18-33-12-13-35(25,42-2)32-34(33)14-15-38(20-23-8-9-23)28(33)17-24-10-11-27(40)30(43-32)29(24)34/h3-7,10-11,23,25-26,28,32,40H,8-9,12-20H2,1-2H3,(H,36,41)(H,37,39)/t25-,26+,28-,32-,33-,34+,35-/m1/s1
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| InChIKey |
PEWSTJXTXIKSFN-OTIMRQAXSA-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