General Information of the Compound
| Compound ID |
CP0546998
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| Compound Name |
4-[6-chloro-2-[2-(dimethylamino)ethoxy]-4-(3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-8-fluoroquinazolin-7-yl]naphthalen-2-ol
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| Structure |
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| Formula |
C30H28ClFN6O2
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| Molecular Weight |
559.045
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| Canonical SMILES |
CN(C)CCOc1nc(N2CCn3c(C2)cnc3C=C)c2cc(Cl)c(c(F)c2n1)-c1cc(O)cc2ccccc12
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| InChI |
InChI=1S/C30H28ClFN6O2/c1-4-25-33-16-19-17-37(9-10-38(19)25)29-23-15-24(31)26(22-14-20(39)13-18-7-5-6-8-21(18)22)27(32)28(23)34-30(35-29)40-12-11-36(2)3/h4-8,13-16,39H,1,9-12,17H2,2-3H3
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| InChIKey |
SLUQNZOSUXAFBM-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