General Information of the Compound
| Compound ID |
CP0237630
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| Compound Name |
ethyl N-[4-[[6-butoxy-7-[2-(diethylamino)ethoxy]quinazolin-4-yl]amino]-2-methylphenyl]carbamate
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| Structure |
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| Formula |
C28H39N5O4
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| Molecular Weight |
509.651
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| Canonical SMILES |
CCCCOc1cc2c(Nc3ccc(NC(=O)OCC)c(C)c3)ncnc2cc1OCCN(CC)CC
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| InChI |
InChI=1S/C28H39N5O4/c1-6-10-14-36-25-17-22-24(18-26(25)37-15-13-33(7-2)8-3)29-19-30-27(22)31-21-11-12-23(20(5)16-21)32-28(34)35-9-4/h11-12,16-19H,6-10,13-15H2,1-5H3,(H,32,34)(H,29,30,31)
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| InChIKey |
JNTAXEAJGFMQPH-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