General Information of the Compound
| Compound ID |
CP0954971
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| Compound Name |
US9096606, 18
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| Structure |
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| Formula |
C34H43N2O5+
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| Molecular Weight |
559.727
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| Canonical SMILES |
COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4COCc4ccc(C(N)=O)cc4)[C@@H](C2)[N+](C)(CC2CC2)CC[C@]315
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| InChI |
InChI=1S/C34H42N2O5/c1-36(18-21-4-5-21)15-14-33-28-24-10-11-26(38-2)29(28)41-31(33)34(39-3)13-12-32(33,27(36)16-24)17-25(34)20-40-19-22-6-8-23(9-7-22)30(35)37/h6-11,21,25,27,31H,4-5,12-20H2,1-3H3,(H-,35,37)/p+1/t25-,27-,31-,32-,33+,34-,36?/m1/s1
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| InChIKey |
TYWAMSHOGMWKMF-STQREICBSA-O
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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