General Information of the Compound
| Compound ID |
CP0455748
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| Compound Name |
N-ethyl-1-(5-ethylthiophen-2-yl)-9H-pyrido[3,4-b]indole-3-carboxamide
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| Structure |
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| Formula |
C20H19N3OS
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| Molecular Weight |
349.459
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| Canonical SMILES |
CCNC(=O)c1cc2c3ccccc3[nH]c2c(n1)-c1ccc(CC)s1
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| InChI |
InChI=1S/C20H19N3OS/c1-3-12-9-10-17(25-12)19-18-14(11-16(23-19)20(24)21-4-2)13-7-5-6-8-15(13)22-18/h5-11,22H,3-4H2,1-2H3,(H,21,24)
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| InChIKey |
NIAGEXLEZHVBDP-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