General Information of the Compound
| Compound ID |
CP0384972
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| Compound Name |
4-(4-(6-(3-(2-methoxyacetamido)prop-1-ynyl)quinazolin-4-ylamino)-2-methylphenoxy)-N-neopentylbenzamide
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| Structure |
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| Formula |
C33H35N5O4
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| Molecular Weight |
565.674
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| Canonical SMILES |
COCC(=O)NCC#Cc1ccc2ncnc(Nc3ccc(Oc4ccc(cc4)C(=O)NCC(C)(C)C)c(C)c3)c2c1
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| InChI |
InChI=1S/C33H35N5O4/c1-22-17-25(11-15-29(22)42-26-12-9-24(10-13-26)32(40)35-20-33(2,3)4)38-31-27-18-23(8-14-28(27)36-21-37-31)7-6-16-34-30(39)19-41-5/h8-15,17-18,21H,16,19-20H2,1-5H3,(H,34,39)(H,35,40)(H,36,37,38)
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| InChIKey |
OHTDLFZNDQLWPF-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