General Information of the Compound
| Compound ID |
CP0044637
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| Compound Name |
(S)-1-((4-(3-chloro-2-fluorophenylamino)-7-methoxyquinazolin-6-yl)methyl)pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C21H21ClFN5O2
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| Molecular Weight |
429.883
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| Canonical SMILES |
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCC[C@H]1C(N)=O
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| InChI |
InChI=1S/C21H21ClFN5O2/c1-30-18-9-16-13(8-12(18)10-28-7-3-6-17(28)20(24)29)21(26-11-25-16)27-15-5-2-4-14(22)19(15)23/h2,4-5,8-9,11,17H,3,6-7,10H2,1H3,(H2,24,29)(H,25,26,27)/t17-/m0/s1
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| InChIKey |
SAERMKUGKADQHG-KRWDZBQOSA-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