General Information of the Compound
| Compound ID |
CP0003098
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| Compound Name |
(4aR,5aS,8aS,13aS,15aS,15bR)-6-propyl-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-6-ium-14-one;bromide
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| Structure |
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| Formula |
C24H29BrN2O2
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| Molecular Weight |
457.412
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| Canonical SMILES |
[Br-].CCC[N+]12CC[C@@]34[C@@H]1C[C@@H]1[C@@H]5[C@@H]3N(c3ccccc43)C(=O)C[C@@H]5OCC=C1C2
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| InChI |
InChI=1S/C24H29N2O2.BrH/c1-2-9-26-10-8-24-17-5-3-4-6-18(17)25-21(27)13-19-22(23(24)25)16(12-20(24)26)15(14-26)7-11-28-19;/h3-7,16,19-20,22-23H,2,8-14H2,1H3;1H/q+1;/p-1/t16-,19-,20-,22-,23-,24+,26?;/m0./s1
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| InChIKey |
ODEPLBNGMGYWQT-YRDDRJARSA-M
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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