General Information of the Compound
| Compound ID |
CP0913990
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| Compound Name |
Ethyl 3-Amino-1-pyridin-3-yl-1H-benzo[f]chromene-2-carboxylate
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| Structure |
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| Formula |
C21H18N2O3
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| Molecular Weight |
346.386
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| Canonical SMILES |
CCOC(=O)C1=C(N)Oc2ccc3ccccc3c2C1c1cccnc1
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| InChI |
InChI=1S/C21H18N2O3/c1-2-25-21(24)19-17(14-7-5-11-23-12-14)18-15-8-4-3-6-13(15)9-10-16(18)26-20(19)22/h3-12,17H,2,22H2,1H3
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| InChIKey |
UXKOKFCWXKARIP-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT05116, Leucyl-cystinyl aminopeptidase