General Information of the Compound
| Compound ID |
CP0569576
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| Compound Name |
4-[6-chloro-4-(3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-8-fluoro-2-(2-morpholin-4-ylethoxy)quinazolin-7-yl]naphthalen-2-ol
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| Structure |
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| Formula |
C32H30ClFN6O3
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| Molecular Weight |
601.082
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| Canonical SMILES |
Oc1cc(-c2c(Cl)cc3c(nc(OCCN4CCOCC4)nc3c2F)N2CCn3c(C2)cnc3C=C)c2ccccc2c1
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| InChI |
InChI=1S/C32H30ClFN6O3/c1-2-27-35-18-21-19-39(7-8-40(21)27)31-25-17-26(33)28(24-16-22(41)15-20-5-3-4-6-23(20)24)29(34)30(25)36-32(37-31)43-14-11-38-9-12-42-13-10-38/h2-6,15-18,41H,1,7-14,19H2
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| InChIKey |
CQEDSJAJXPIXCG-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