General Information of the Compound
| Compound ID |
CP0439665
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| Compound Name |
4-(4-(6-(3-(2-methoxyacetamido)prop-1-ynyl)quinazolin-4-ylamino)-2-methylphenoxy)-N,N-dimethylbenzamide
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| Structure |
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| Formula |
C30H29N5O4
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| Molecular Weight |
523.593
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| Canonical SMILES |
COCC(=O)NCC#Cc1ccc2ncnc(Nc3ccc(Oc4ccc(cc4)C(=O)N(C)C)c(C)c3)c2c1
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| InChI |
InChI=1S/C30H29N5O4/c1-20-16-23(10-14-27(20)39-24-11-8-22(9-12-24)30(37)35(2)3)34-29-25-17-21(7-13-26(25)32-19-33-29)6-5-15-31-28(36)18-38-4/h7-14,16-17,19H,15,18H2,1-4H3,(H,31,36)(H,32,33,34)
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| InChIKey |
HVSGXWBTVXETFN-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