General Information of the Compound
| Compound ID |
CP0956194
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| Compound Name |
Methyl5-(2-(aminomethyl)-1H-indol-5-yl)nicotinate
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| Structure |
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| Formula |
C16H15N3O2
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| Molecular Weight |
281.315
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| Canonical SMILES |
COC(=O)c1cncc(-c2ccc3[nH]c(CN)cc3c2)c1
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| InChI |
InChI=1S/C16H15N3O2/c1-21-16(20)13-5-12(8-18-9-13)10-2-3-15-11(4-10)6-14(7-17)19-15/h2-6,8-9,19H,7,17H2,1H3
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| InChIKey |
XTGYVYMRBBJGBC-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