General Information of the Compound
| Compound ID |
CP0560136
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| Compound Name |
N-[1,3-bis(cyclopropylmethyl)-2,4-dioxoquinazolin-6-yl]-N'-(3-chloro-4-cyanophenyl)-3-methylpentanediamide
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| Structure |
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| Formula |
C29H30ClN5O4
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| Molecular Weight |
548.043
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| Canonical SMILES |
CC(CC(=O)Nc1ccc(C#N)c(Cl)c1)CC(=O)Nc1ccc2n(CC3CC3)c(=O)n(CC3CC3)c(=O)c2c1
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| InChI |
InChI=1S/C29H30ClN5O4/c1-17(11-27(37)33-22-7-6-20(14-31)24(30)13-22)10-26(36)32-21-8-9-25-23(12-21)28(38)35(16-19-4-5-19)29(39)34(25)15-18-2-3-18/h6-9,12-13,17-19H,2-5,10-11,15-16H2,1H3,(H,32,36)(H,33,37)
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| InChIKey |
WWXWDDWPYCEADJ-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