General Information of the Compound
| Compound ID |
CP0970169
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| Compound Name |
6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)-2-((1-methylpyrrolidin-2-yl)methoxy)-4-(3-vinyl-5,6-dihydroimidazo[1,5-a]pyrazin-7(8H)-yl)quinazoline
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| Structure |
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| Formula |
C30H30ClFN8O
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| Molecular Weight |
573.076
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| Canonical SMILES |
C=Cc1ncc2n1CCN(c1nc(OCC3CCCN3C)nc3c(F)c(-c4c(C)ccc5[nH]ncc45)c(Cl)cc13)C2
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| InChI |
InChI=1S/C30H30ClFN8O/c1-4-24-33-13-19-15-39(10-11-40(19)24)29-20-12-22(31)26(25-17(2)7-8-23-21(25)14-34-37-23)27(32)28(20)35-30(36-29)41-16-18-6-5-9-38(18)3/h4,7-8,12-14,18H,1,5-6,9-11,15-16H2,2-3H3,(H,34,37)
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| InChIKey |
ZWYLFPJRBWHHFO-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