General Information of the Compound
| Compound ID |
CP0418208
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| Compound Name |
(S)-7-methoxy-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylic acid
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| Structure |
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| Formula |
C14H16N2O3
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| Molecular Weight |
260.293
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| Canonical SMILES |
COc1ccc2c3CCN[C@](C)(C(O)=O)c3[nH]c2c1
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| InChI |
InChI=1S/C14H16N2O3/c1-14(13(17)18)12-10(5-6-15-14)9-4-3-8(19-2)7-11(9)16-12/h3-4,7,15-16H,5-6H2,1-2H3,(H,17,18)/t14-/m0/s1
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| InChIKey |
KDYMASZQVSANEA-AWEZNQCLSA-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