General Information of the Compound
| Compound ID |
CP0383924
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| Compound Name |
N-[(E)-3-(2-amino-1H-imidazol-5-yl)prop-2-enyl]-5-methoxy-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C16H17N5O2
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| Molecular Weight |
311.345
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| Canonical SMILES |
COc1ccc2[nH]c(cc2c1)C(=O)NC\C=C\c1c[nH]c(N)n1
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| InChI |
InChI=1S/C16H17N5O2/c1-23-12-4-5-13-10(7-12)8-14(21-13)15(22)18-6-2-3-11-9-19-16(17)20-11/h2-5,7-9,21H,6H2,1H3,(H,18,22)(H3,17,19,20)/b3-2+
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| InChIKey |
KMZOBLJWCCZDOL-NSCUHMNNSA-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