General Information of the Compound
| Compound ID |
CP0251715
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| Compound Name |
6-(5-chloropyrimidin-2-yl)-3-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one
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| Structure |
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| Formula |
C21H20ClN5O4
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| Molecular Weight |
441.875
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| Canonical SMILES |
COc1cc(ccc1OCC(C)(C)O)-n1cnn2cc(cc2c1=O)-c1ncc(Cl)cn1
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| InChI |
InChI=1S/C21H20ClN5O4/c1-21(2,29)11-31-17-5-4-15(7-18(17)30-3)26-12-25-27-10-13(6-16(27)20(26)28)19-23-8-14(22)9-24-19/h4-10,12,29H,11H2,1-3H3
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| InChIKey |
VPDYEZOCBRNOPR-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