General Information of the Compound
| Compound ID |
CP0384978
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| Compound Name |
2-methoxy-N-[3-(4-{3-methyl-4-[1-(tetrahydro-furan-2-carbonyl)-piperidin-4-yloxy]-phenylamino}-quinazolin-6-yl)-prop-2-ynyl]-acetamide
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| Structure |
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| Formula |
C31H35N5O5
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| Molecular Weight |
557.651
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| Canonical SMILES |
COCC(=O)NCC#Cc1ccc2ncnc(Nc3ccc(OC4CCN(CC4)C(=O)C4CCCO4)c(C)c3)c2c1
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| InChI |
InChI=1S/C31H35N5O5/c1-21-17-23(8-10-27(21)41-24-11-14-36(15-12-24)31(38)28-6-4-16-40-28)35-30-25-18-22(7-9-26(25)33-20-34-30)5-3-13-32-29(37)19-39-2/h7-10,17-18,20,24,28H,4,6,11-16,19H2,1-2H3,(H,32,37)(H,33,34,35)
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| InChIKey |
LURGJPYZRSEIGY-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