General Information of the Compound
| Compound ID |
CP0904690
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| Compound Name |
US9096606, 12
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| Structure |
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| Formula |
C35H42NO5+
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| Molecular Weight |
556.723
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| Canonical SMILES |
COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4COCc4cc6ccccc6o4)[C@@H](C2)[N+](C)(CC2CC2)CC[C@]315
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| InChI |
InChI=1S/C35H42NO5/c1-36(19-22-8-9-22)15-14-34-30-24-10-11-28(37-2)31(30)41-32(34)35(38-3)13-12-33(34,29(36)17-24)18-25(35)20-39-21-26-16-23-6-4-5-7-27(23)40-26/h4-7,10-11,16,22,25,29,32H,8-9,12-15,17-21H2,1-3H3/q+1/t25-,29-,32-,33-,34+,35-,36?/m1/s1
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| InChIKey |
RUMHRQROJLSXMB-LLSQCAGRSA-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