General Information of the Compound
| Compound ID |
CP0565211
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| Compound Name |
methyl (2R)-2-[(2R,3Z,5S,12bS)-3-ethylidene-5-oxido-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-5-ium-2-yl]-3-hydroxypropanoate
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| Structure |
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| Formula |
C21H26N2O4
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| Molecular Weight |
370.449
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| Canonical SMILES |
COC(=O)[C@@H](CO)[C@H]1C[C@H]2c3[nH]c4ccccc4c3CC[N@+]2([O-])C\C1=C/C
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| InChI |
InChI=1S/C21H26N2O4/c1-3-13-11-23(26)9-8-15-14-6-4-5-7-18(14)22-20(15)19(23)10-16(13)17(12-24)21(25)27-2/h3-7,16-17,19,22,24H,8-12H2,1-2H3/b13-3+/t16-,17-,19-,23-/m0/s1
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| InChIKey |
OHHVPGGPHFGQKF-LIHLBDDTSA-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