General Information of the Compound
| Compound ID |
CP0446551
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| Compound Name |
5-[(Z)-2-(4-Methoxyphenyl)vinyl]-2,8-dimethyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
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| Structure |
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| Formula |
C22H24N2O
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| Molecular Weight |
332.447
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| Canonical SMILES |
COc1ccc(\C=C/n2c3CCN(C)Cc3c3cc(C)ccc23)cc1
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| InChI |
InChI=1S/C22H24N2O/c1-16-4-9-21-19(14-16)20-15-23(2)12-11-22(20)24(21)13-10-17-5-7-18(25-3)8-6-17/h4-10,13-14H,11-12,15H2,1-3H3/b13-10-
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| InChIKey |
MFSKUIKDMBDVCX-RAXLEYEMSA-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