General Information of the Compound
| Compound ID |
CP0406826
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| Compound Name |
US9221831, 16
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| Structure |
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| Formula |
C29H36N2O5S
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| Molecular Weight |
524.683
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| Canonical SMILES |
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(NS(C)(=O)=O)c5O[C@@H]2[C@]3(CCN1C)c45
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| InChI |
InChI=1S/C29H36N2O5S/c1-31-14-13-28-24-20-9-10-22(30-37(3,32)33)25(24)36-26(28)29(34-2)12-11-27(28,23(31)15-20)16-21(29)18-35-17-19-7-5-4-6-8-19/h4-10,21,23,26,30H,11-18H2,1-3H3/t21-,23-,26-,27-,28+,29-/m1/s1
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| InChIKey |
DIIUDCDSVQJDAE-ZYGOFEOWSA-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