General Information of the Compound
| Compound ID |
CP0362454
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| Compound Name |
methyl 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 |
C27H37N5O4
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| Molecular Weight |
495.624
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| Canonical SMILES |
CCCCOc1cc2c(Nc3ccc(NC(=O)OC)c(C)c3)ncnc2cc1OCCN(CC)CC
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| InChI |
InChI=1S/C27H37N5O4/c1-6-9-13-35-24-16-21-23(17-25(24)36-14-12-32(7-2)8-3)28-18-29-26(21)30-20-10-11-22(19(4)15-20)31-27(33)34-5/h10-11,15-18H,6-9,12-14H2,1-5H3,(H,31,33)(H,28,29,30)
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| InChIKey |
LXLAUAGJUVYVPV-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