General Information of the Compound
| Compound ID |
CP0055310
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| Compound Name |
6-(4-chlorophenyl)-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 |
C24H20ClF2N3O4
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| Molecular Weight |
487.89
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| Canonical SMILES |
COc1cc(ccc1OCC1(O)CC(F)(F)C1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C24H20ClF2N3O4/c1-33-21-9-18(6-7-20(21)34-13-23(32)11-24(26,27)12-23)29-14-28-30-10-16(8-19(30)22(29)31)15-2-4-17(25)5-3-15/h2-10,14,32H,11-13H2,1H3
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| InChIKey |
LHIJZZNBPHAXFD-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