General Information of the Compound
| Compound ID |
CP0954972
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| Compound Name |
US9096606, 24
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| Structure |
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| Formula |
C31H40NO5+
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| Molecular Weight |
506.663
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| Canonical SMILES |
COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4COCc4ccco4)[C@@H](C2)[N+](C)(CC2CC2)CC[C@]315
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| InChI |
InChI=1S/C31H40NO5/c1-32(17-20-6-7-20)13-12-30-26-21-8-9-24(33-2)27(26)37-28(30)31(34-3)11-10-29(30,25(32)15-21)16-22(31)18-35-19-23-5-4-14-36-23/h4-5,8-9,14,20,22,25,28H,6-7,10-13,15-19H2,1-3H3/q+1/t22-,25-,28-,29-,30+,31-,32?/m1/s1
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| InChIKey |
GJVHYDPMBFFYHP-AMMKAURCSA-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