General Information of the Compound
| Compound ID |
CP0384971
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| Compound Name |
4-(4-(6-(3-(2-methoxyacetamido)prop-1-ynyl)quinazolin-4-ylamino)-2-methylphenoxy)-N-phenylbenzamide
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| Structure |
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| Formula |
C34H29N5O4
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| Molecular Weight |
571.637
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| Canonical SMILES |
COCC(=O)NCC#Cc1ccc2ncnc(Nc3ccc(Oc4ccc(cc4)C(=O)Nc4ccccc4)c(C)c3)c2c1
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| InChI |
InChI=1S/C34H29N5O4/c1-23-19-27(13-17-31(23)43-28-14-11-25(12-15-28)34(41)39-26-8-4-3-5-9-26)38-33-29-20-24(10-16-30(29)36-22-37-33)7-6-18-35-32(40)21-42-2/h3-5,8-17,19-20,22H,18,21H2,1-2H3,(H,35,40)(H,39,41)(H,36,37,38)
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| InChIKey |
UVXYOMBULTYUII-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