General Information of the Compound
| Compound ID |
CP0436852
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| Compound Name |
Conessine analogue, 12c
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| Structure |
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| Formula |
C30H42N2O
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| Molecular Weight |
446.679
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| Canonical SMILES |
C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23CN1C)N(C)C(=O)c1ccccc1
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| InChI |
InChI=1S/C30H42N2O/c1-20-25-12-13-27-24-11-10-22-18-23(32(4)28(33)21-8-6-5-7-9-21)14-16-29(22,2)26(24)15-17-30(25,27)19-31(20)3/h5-10,20,23-27H,11-19H2,1-4H3/t20-,23-,24+,25+,26-,27-,29-,30-/m0/s1
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| InChIKey |
TTZKMXJRVUDQEX-HKUZGXNYSA-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