General Information of the Compound
| Compound ID |
CP0518281
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| Compound Name |
US9221831, 74
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| Structure |
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| Formula |
C38H42N2O5
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| Molecular Weight |
606.763
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| Canonical SMILES |
CO[C@]12CC[C@@]3(C[C@@H]1COCc1cccc(NC(=O)c4ccccc4)c1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
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| InChI |
InChI=1S/C38H42N2O5/c1-43-38-15-14-36(20-28(38)23-44-22-25-6-5-9-29(18-25)39-34(42)26-7-3-2-4-8-26)31-19-27-12-13-30(41)33-32(27)37(36,35(38)45-33)16-17-40(31)21-24-10-11-24/h2-9,12-13,18,24,28,31,35,41H,10-11,14-17,19-23H2,1H3,(H,39,42)/t28-,31-,35-,36-,37+,38-/m1/s1
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| InChIKey |
UJZSYHINYXYUSQ-AMNGUUIDSA-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