General Information of the Compound
| Compound ID |
CP0071386
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| Compound Name |
6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C21H19N5O2
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| Molecular Weight |
373.416
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| Canonical SMILES |
COc1cccc(CNC(=O)c2cc3ccc(cc3[nH]2)-c2ccnc(N)n2)c1
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| InChI |
InChI=1S/C21H19N5O2/c1-28-16-4-2-3-13(9-16)12-24-20(27)19-11-15-6-5-14(10-18(15)25-19)17-7-8-23-21(22)26-17/h2-11,25H,12H2,1H3,(H,24,27)(H2,22,23,26)
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| InChIKey |
LRMGXVOBRWPUFG-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