General Information of the Compound
| Compound ID |
CP0571096
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| Compound Name |
[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl] (2R)-2-methyl-4-prop-2-enoylpiperazine-1-carboxylate
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| Structure |
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| Formula |
C24H23ClFN5O4
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| Molecular Weight |
499.93
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| Canonical SMILES |
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C[C@H]1C)C(=O)C=C
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| InChI |
InChI=1S/C24H23ClFN5O4/c1-4-21(32)30-8-9-31(14(2)12-30)24(33)35-20-10-15-18(11-19(20)34-3)27-13-28-23(15)29-17-7-5-6-16(25)22(17)26/h4-7,10-11,13-14H,1,8-9,12H2,2-3H3,(H,27,28,29)/t14-/m1/s1
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| InChIKey |
STTAPQNGVRKNPQ-CQSZACIVSA-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