General Information of the Compound
| Compound ID |
CP0112764
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| Compound Name |
6-(5-chloropyridin-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 |
C23H19ClF2N4O4
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| Molecular Weight |
488.878
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| Canonical SMILES |
COc1cc(ccc1OCC1(O)CC(F)(F)C1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cn1
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| InChI |
InChI=1S/C23H19ClF2N4O4/c1-33-20-7-16(3-5-19(20)34-12-22(32)10-23(25,26)11-22)29-13-28-30-9-14(6-18(30)21(29)31)17-4-2-15(24)8-27-17/h2-9,13,32H,10-12H2,1H3
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| InChIKey |
KLJSSNMESFVMNT-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