General Information of the Compound
| Compound ID |
CP0416508
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| Compound Name |
N-(3-chloro-4-cyanophenyl)-N'-[1-(cyclopropylmethyl)-3-ethyl-2,4-dioxoquinazolin-6-yl]-3-methylpentanediamide
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| Structure |
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| Formula |
C27H28ClN5O4
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| Molecular Weight |
522.005
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| Canonical SMILES |
CCn1c(=O)n(CC2CC2)c2ccc(NC(=O)CC(C)CC(=O)Nc3ccc(C#N)c(Cl)c3)cc2c1=O
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| InChI |
InChI=1S/C27H28ClN5O4/c1-3-32-26(36)21-12-19(8-9-23(21)33(27(32)37)15-17-4-5-17)30-24(34)10-16(2)11-25(35)31-20-7-6-18(14-29)22(28)13-20/h6-9,12-13,16-17H,3-5,10-11,15H2,1-2H3,(H,30,34)(H,31,35)
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| InChIKey |
ZGTFMNLGOIQBSK-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