General Information of the Compound
| Compound ID |
CP0962091
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| Compound Name |
US9221831, 54
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| Structure |
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| Formula |
C34H41N5O4
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| Molecular Weight |
583.733
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| Canonical SMILES |
COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4COCc4ccc(Cc6nn[nH]n6)cc4)[C@@H](C2)N(CC2CC2)CC[C@]315
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| InChI |
InChI=1S/C34H41N5O4/c1-40-26-10-9-24-16-27-32-11-12-34(41-2,31-33(32,29(24)30(26)43-31)13-14-39(27)18-22-5-6-22)25(17-32)20-42-19-23-7-3-21(4-8-23)15-28-35-37-38-36-28/h3-4,7-10,22,25,27,31H,5-6,11-20H2,1-2H3,(H,35,36,37,38)/t25-,27-,31-,32-,33+,34-/m1/s1
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| InChIKey |
DUVPACRADXQHNE-KRSIGYQBSA-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