General Information of the Compound
| Compound ID |
CP0573461
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| Compound Name |
5-(4-tert-butylphenoxy)-N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]pentanamide
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| Structure |
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| Formula |
C25H31N3O3
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| Molecular Weight |
421.541
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| Canonical SMILES |
Cn1c(CNC(=O)CCCCOc2ccc(cc2)C(C)(C)C)nc2ccccc2c1=O
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| InChI |
InChI=1S/C25H31N3O3/c1-25(2,3)18-12-14-19(15-13-18)31-16-8-7-11-23(29)26-17-22-27-21-10-6-5-9-20(21)24(30)28(22)4/h5-6,9-10,12-15H,7-8,11,16-17H2,1-4H3,(H,26,29)
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| InChIKey |
QQTCPYOFCBPDIX-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