General Information of the Compound
| Compound ID |
CP0385056
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| Compound Name |
(2R)-N-[1-[4-(4-chloro-2-fluoroanilino)-6,7-dimethoxyquinazolin-2-yl]piperidin-4-yl]-N-methylpyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C27H32ClFN6O3
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| Molecular Weight |
543.043
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| Canonical SMILES |
COc1cc2nc(nc(Nc3ccc(Cl)cc3F)c2cc1OC)N1CCC(CC1)N(C)C(=O)[C@H]1CCCN1
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| InChI |
InChI=1S/C27H32ClFN6O3/c1-34(26(36)21-5-4-10-30-21)17-8-11-35(12-9-17)27-32-22-15-24(38-3)23(37-2)14-18(22)25(33-27)31-20-7-6-16(28)13-19(20)29/h6-7,13-15,17,21,30H,4-5,8-12H2,1-3H3,(H,31,32,33)/t21-/m1/s1
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| InChIKey |
WEQOJZXISUCIHX-OAQYLSRUSA-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