General Information of the Compound
| Compound ID |
CP0579118
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| Compound Name |
2-[6-chloro-4-(3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-8-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]quinazolin-7-yl]-3-fluorophenol
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| Structure |
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| Formula |
C28H27ClF2N6O2
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| Molecular Weight |
553.013
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| Canonical SMILES |
CN1CCCC1COc1nc(N2CCn3c(C2)cnc3C=C)c2cc(Cl)c(c(F)c2n1)-c1c(O)cccc1F
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| InChI |
InChI=1S/C28H27ClF2N6O2/c1-3-22-32-13-17-14-36(10-11-37(17)22)27-18-12-19(29)23(24-20(30)7-4-8-21(24)38)25(31)26(18)33-28(34-27)39-15-16-6-5-9-35(16)2/h3-4,7-8,12-13,16,38H,1,5-6,9-11,14-15H2,2H3
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| InChIKey |
QIWYHOUATIAHQN-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