General Information of the Compound
| Compound ID |
CP0356524
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| Compound Name |
4-[5-(2-chloroanilino)indazol-1-yl]-N-[(3S)-1-(trideuteriomethyl)pyrrolidin-3-yl]thiophene-2-carboxamide
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| Structure |
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| Formula |
C23H22ClN5OS
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| Molecular Weight |
455.0013053
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| Canonical SMILES |
[2H]C([2H])([2H])N1CC[C@@H](C1)NC(=O)c1cc(cs1)-n1ncc2cc(Nc3ccccc3Cl)ccc12
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| InChI |
InChI=1S/C23H22ClN5OS/c1-28-9-8-17(13-28)27-23(30)22-11-18(14-31-22)29-21-7-6-16(10-15(21)12-25-29)26-20-5-3-2-4-19(20)24/h2-7,10-12,14,17,26H,8-9,13H2,1H3,(H,27,30)/t17-/m0/s1/i1D3
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| InChIKey |
OTFWOWGRYVMGKI-DBHFXHLNSA-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