General Information of the Compound
| Compound ID |
CP0534020
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| Compound Name |
2-[(4-chlorophenyl)methyl-ethylamino]-4-(cyclopentylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide
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| Formula |
C26H35ClN6O2
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| Molecular Weight |
499.059
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| Canonical SMILES |
CCN(Cc1ccc(Cl)cc1)c1ncc(C(=O)NCCCN2CCCC2=O)c(NC2CCCC2)n1
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| InChI |
InChI=1S/C26H35ClN6O2/c1-2-32(18-19-10-12-20(27)13-11-19)26-29-17-22(24(31-26)30-21-7-3-4-8-21)25(35)28-14-6-16-33-15-5-9-23(33)34/h10-13,17,21H,2-9,14-16,18H2,1H3,(H,28,35)(H,29,30,31)
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| InChIKey |
AYRUNBYNKCLGFI-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