General Information of the Compound
| Compound ID |
CP0002500
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| Compound Name |
3,3,3-trifluoro-1-[4-[(1R)-1-[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]propan-1-one
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| Structure |
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| Formula |
C24H25F3N8O2
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| Molecular Weight |
514.512
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| Canonical SMILES |
C[C@@H](N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2nc(C)no2)c1
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| InChI |
InChI=1S/C24H25F3N8O2/c1-14(34-7-9-35(10-8-34)21(36)13-24(25,26)27)16-5-6-28-20(12-16)32-23-30-18-4-3-17(11-19(18)31-23)22-29-15(2)33-37-22/h3-6,11-12,14H,7-10,13H2,1-2H3,(H2,28,30,31,32)/t14-/m1/s1
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| InChIKey |
SYMILEXMAHCATG-CQSZACIVSA-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