General Information of the Compound
| Compound ID |
CP0384979
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| Compound Name |
N-[3-[4-[4-[1-(3-chlorobenzoyl)piperidin-4-yl]oxy-3-methylanilino]quinazolin-6-yl]prop-2-ynyl]-2-methoxyacetamide
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| Structure |
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| Formula |
C33H32ClN5O4
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| Molecular Weight |
598.103
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| Canonical SMILES |
COCC(=O)NCC#Cc1ccc2ncnc(Nc3ccc(OC4CCN(CC4)C(=O)c4cccc(Cl)c4)c(C)c3)c2c1
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| InChI |
InChI=1S/C33H32ClN5O4/c1-22-17-26(9-11-30(22)43-27-12-15-39(16-13-27)33(41)24-6-3-7-25(34)19-24)38-32-28-18-23(8-10-29(28)36-21-37-32)5-4-14-35-31(40)20-42-2/h3,6-11,17-19,21,27H,12-16,20H2,1-2H3,(H,35,40)(H,36,37,38)
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| InChIKey |
UBLCGEZIPYNWGJ-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