General Information of the Compound
| Compound ID |
CP0572320
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| Compound Name |
US9221831, 63
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| Structure |
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| Formula |
C34H43NO5
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| Molecular Weight |
545.72
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| Canonical SMILES |
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(CC(O)CO)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
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| InChI |
InChI=1S/C34H43NO5/c1-38-34-12-11-32(17-26(34)21-39-20-23-5-3-2-4-6-23)28-16-24-9-10-25(15-27(37)19-36)30-29(24)33(32,31(34)40-30)13-14-35(28)18-22-7-8-22/h2-6,9-10,22,26-28,31,36-37H,7-8,11-21H2,1H3/t26-,27?,28-,31-,32-,33+,34-/m1/s1
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| InChIKey |
DNZIHUHZJDFVAD-JVYJWSHXSA-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