General Information of the Compound
| Compound ID |
CP0295149
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| Compound Name |
(R)-N-(7-(N-ethylacetamido)-4-methoxybenzo[d]thiazol-2-yl)-1-(3-(trifluoromethyl)phenylsulfonyl)pyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C24H25F3N4O5S2
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| Molecular Weight |
570.615
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| Canonical SMILES |
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CCN(C3)S(=O)(=O)c3cccc(c3)C(F)(F)F)sc12
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| InChI |
InChI=1S/C24H25F3N4O5S2/c1-4-31(14(2)32)18-8-9-19(36-3)20-21(18)37-23(28-20)29-22(33)15-10-11-30(13-15)38(34,35)17-7-5-6-16(12-17)24(25,26)27/h5-9,12,15H,4,10-11,13H2,1-3H3,(H,28,29,33)/t15-/m1/s1
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| InChIKey |
XOUCNJWVWYHRJZ-OAHLLOKOSA-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