General Information of the Compound
| Compound ID |
CP0044635
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| Compound Name |
(S)-2-(((4-(3-chloro-2-fluorophenylamino)-7-methoxyquinazolin-6-yl)methyl)(methyl)amino)-3-methoxypropanamide
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| Structure |
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| Formula |
C21H23ClFN5O3
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| Molecular Weight |
447.898
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| Canonical SMILES |
COC[C@H](N(C)Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC)C(N)=O
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| InChI |
InChI=1S/C21H23ClFN5O3/c1-28(17(10-30-2)20(24)29)9-12-7-13-16(8-18(12)31-3)25-11-26-21(13)27-15-6-4-5-14(22)19(15)23/h4-8,11,17H,9-10H2,1-3H3,(H2,24,29)(H,25,26,27)/t17-/m0/s1
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| InChIKey |
LJNUYDJKKBIGJB-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