General Information of the Compound
| Compound ID |
CP0154606
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| Compound Name |
methyl 2-[4-[[[1-(pyrimidine-5-carbonylamino)cyclopropanecarbonyl]amino]methyl]phenyl]benzoate
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| Structure |
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| Formula |
C24H22N4O4
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| Molecular Weight |
430.464
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| Canonical SMILES |
COC(=O)c1ccccc1-c1ccc(CNC(=O)C2(CC2)NC(=O)c2cncnc2)cc1
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| InChI |
InChI=1S/C24H22N4O4/c1-32-22(30)20-5-3-2-4-19(20)17-8-6-16(7-9-17)12-27-23(31)24(10-11-24)28-21(29)18-13-25-15-26-14-18/h2-9,13-15H,10-12H2,1H3,(H,27,31)(H,28,29)
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| InChIKey |
PFRCFLJPPNZTNJ-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