General Information of the Compound
| Compound ID |
CP0883057
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| Compound Name |
N-{(lS)-2-amino-1-[(3,4-difluorophenyl)methyl]ethyl}-5-chloro-4-(4-chloro-1-ethyl-1H-pyrazol-5-yl)-2-furancarboxamide
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| Structure |
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| Formula |
C19H18Cl2F2N4O2
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| Molecular Weight |
443.281
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| Canonical SMILES |
CCn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2ccc(F)c(F)c2)oc1Cl
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| InChI |
InChI=1S/C19H18Cl2F2N4O2/c1-2-27-17(13(20)9-25-27)12-7-16(29-18(12)21)19(28)26-11(8-24)5-10-3-4-14(22)15(23)6-10/h3-4,6-7,9,11H,2,5,8,24H2,1H3,(H,26,28)/t11-/m0/s1
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| InChIKey |
WBNREKJRGKMSSO-NSHDSACASA-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: PT00845, RAC-alpha serine/threonine-protein kinase
Protein ID: PT01131, RAC-beta serine/threonine-protein kinase
Protein ID: PT01022, RAC-gamma serine/threonine-protein kinase