General Information of the Compound
| Compound ID |
CP0368276
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| Compound Name |
6-(5-chloropyrimidin-2-yl)-3-[4-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one
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| Structure |
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| Formula |
C22H18ClF2N5O4
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| Molecular Weight |
489.866
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| Canonical SMILES |
COc1cc(ccc1OCC1(O)CC(F)(F)C1)-n1cnn2cc(cc2c1=O)-c1ncc(Cl)cn1
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| InChI |
InChI=1S/C22H18ClF2N5O4/c1-33-18-5-15(2-3-17(18)34-11-21(32)9-22(24,25)10-21)29-12-28-30-8-13(4-16(30)20(29)31)19-26-6-14(23)7-27-19/h2-8,12,32H,9-11H2,1H3
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| InChIKey |
TZNRMDWQKKCZGO-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