General Information of the Compound
| Compound ID |
CP0577839
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| Compound Name |
US8969358, 125
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| Structure |
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| Formula |
C30H36N2O5S
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| Molecular Weight |
536.694
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| Canonical SMILES |
CO[C@]12CC[C@@]3(C[C@@H]1CNS(=O)(=O)c1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
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| InChI |
InChI=1S/C30H36N2O5S/c1-36-30-12-11-28(16-21(30)17-31-38(34,35)22-5-3-2-4-6-22)24-15-20-9-10-23(33)26-25(20)29(28,27(30)37-26)13-14-32(24)18-19-7-8-19/h2-6,9-10,19,21,24,27,31,33H,7-8,11-18H2,1H3/t21-,24-,27-,28-,29+,30-/m1/s1
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| InChIKey |
DDGBYNUMMVPZEO-QZJLZKDQSA-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