General Information of the Compound
| Compound ID |
CP0779781
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| Compound Name |
(S)-3-(3,4-dichlorophenyl)-6-(3-(dimethylamino)pyrrolidine-1-carbonyl)-9H-carbazole-1-carboxamide
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| Structure |
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| Formula |
C26H24Cl2N4O2
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| Molecular Weight |
495.41
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| Canonical SMILES |
CN(C)[C@H]1CCN(C(=O)c2ccc3[nH]c4c(C(N)=O)cc(-c5ccc(Cl)c(Cl)c5)cc4c3c2)C1
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| InChI |
InChI=1S/C26H24Cl2N4O2/c1-31(2)17-7-8-32(13-17)26(34)15-4-6-23-18(9-15)19-10-16(11-20(25(29)33)24(19)30-23)14-3-5-21(27)22(28)12-14/h3-6,9-12,17,30H,7-8,13H2,1-2H3,(H2,29,33)/t17-/m0/s1
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| InChIKey |
DGRFIHYNHHVHTN-KRWDZBQOSA-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: PT01214, Tyrosine-protein kinase JAK2
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000068 | A-549 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 990 nM
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