General Information of the Compound
| Compound ID |
CP0969504
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| Compound Name |
(1S,3S)-Methyl 2-Benzyl-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
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| Structure |
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| Formula |
C26H24N2O2
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| Molecular Weight |
396.49
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| Canonical SMILES |
COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccccc2)N1Cc1ccccc1
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| InChI |
InChI=1S/C26H24N2O2/c1-30-26(29)23-16-21-20-14-8-9-15-22(20)27-24(21)25(19-12-6-3-7-13-19)28(23)17-18-10-4-2-5-11-18/h2-15,23,25,27H,16-17H2,1H3/t23-,25-/m0/s1
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| InChIKey |
CXXMITPJMNSSPY-ZCYQVOJMSA-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