General Information of the Compound
| Compound ID |
CP0559075
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| Compound Name |
4-(cyclopentylamino)-2-[(2,4-dichlorophenyl)methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide
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| Formula |
C24H30Cl2N6O2
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| Molecular Weight |
505.45
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| Canonical SMILES |
Clc1ccc(CNc2ncc(C(=O)NCCCN3CCCC3=O)c(NC3CCCC3)n2)c(Cl)c1
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| InChI |
InChI=1S/C24H30Cl2N6O2/c25-17-9-8-16(20(26)13-17)14-28-24-29-15-19(22(31-24)30-18-5-1-2-6-18)23(34)27-10-4-12-32-11-3-7-21(32)33/h8-9,13,15,18H,1-7,10-12,14H2,(H,27,34)(H2,28,29,30,31)
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| InChIKey |
RUAVAAXWRAUNAC-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
Protein ID: PT02327, Peripheral plasma membrane protein CASK
Protein ID: PT01071, Tyrosine-protein kinase ABL1
Protein ID: PT01182, Tyrosine-protein kinase Mer
Protein ID: PT01661, Tyrosine-protein kinase receptor TYRO3
Protein ID: PT01128, Tyrosine-protein kinase receptor UFO