General Information of the Compound
| Compound ID |
CP0384977
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| Compound Name |
3-(4-(6-(3-(2-methoxyacetamido)prop-1-ynyl)quinazolin-4-ylamino)-2-methylphenoxy)-N-methylbenzamide
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| Structure |
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| Formula |
C29H27N5O4
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| Molecular Weight |
509.566
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| Canonical SMILES |
CNC(=O)c1cccc(Oc2ccc(Nc3ncnc4ccc(cc34)C#CCNC(=O)COC)cc2C)c1
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| InChI |
InChI=1S/C29H27N5O4/c1-19-14-22(10-12-26(19)38-23-8-4-7-21(16-23)29(36)30-2)34-28-24-15-20(9-11-25(24)32-18-33-28)6-5-13-31-27(35)17-37-3/h4,7-12,14-16,18H,13,17H2,1-3H3,(H,30,36)(H,31,35)(H,32,33,34)
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| InChIKey |
OJQDSNSDUVKDNP-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