General Information of the Compound
| Compound ID |
CP0261687
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| Compound Name |
6-methoxy-1-(1-methyl-4-nitro-1H-pyrrol-2-yl)-4,9-dihydro-3H-pyrido[3,4-b]indole
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| Structure |
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| Formula |
C17H16N4O3
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| Molecular Weight |
324.34
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| Canonical SMILES |
COc1ccc2[nH]c3c(CCN=C3c3cc(cn3C)[N+]([O-])=O)c2c1
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| InChI |
InChI=1S/C17H16N4O3/c1-20-9-10(21(22)23)7-15(20)17-16-12(5-6-18-17)13-8-11(24-2)3-4-14(13)19-16/h3-4,7-9,19H,5-6H2,1-2H3
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| InChIKey |
LGTFLTXJSPOWDA-UHFFFAOYSA-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