General Information of the Compound
| Compound ID |
CP0467500
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| Compound Name |
2-[[4-(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-6,7-dimethoxyquinazolin-2-yl]amino]acetic acid
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| Structure |
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| Formula |
C19H18N8O4
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| Molecular Weight |
422.405
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| Canonical SMILES |
COc1cc2nc(NCC(O)=O)nc(-n3nc(nc3N)-c3ccccn3)c2cc1OC
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| InChI |
InChI=1S/C19H18N8O4/c1-30-13-7-10-12(8-14(13)31-2)23-19(22-9-15(28)29)25-17(10)27-18(20)24-16(26-27)11-5-3-4-6-21-11/h3-8H,9H2,1-2H3,(H,28,29)(H2,20,24,26)(H,22,23,25)
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| InChIKey |
GBEIKWODJRRLQQ-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