General Information of the Compound
| Compound ID |
CP0449802
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| Compound Name |
methyl 6-chloro-1-(pyridin-3-ylcarbamoyl)-2,3-dihydroindole-5-carboxylate
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| Structure |
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| Formula |
C16H14ClN3O3
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| Molecular Weight |
331.759
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| Canonical SMILES |
COC(=O)c1cc2CCN(C(=O)Nc3cccnc3)c2cc1Cl
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| InChI |
InChI=1S/C16H14ClN3O3/c1-23-15(21)12-7-10-4-6-20(14(10)8-13(12)17)16(22)19-11-3-2-5-18-9-11/h2-3,5,7-9H,4,6H2,1H3,(H,19,22)
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| InChIKey |
ZYAVZXUEXDSCMB-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
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C