General Information of the Compound
| Compound ID |
CP0002501
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| Compound Name |
1-[4-[[2-[[6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]pyridin-4-yl]methyl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one
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| Structure |
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| Formula |
C25H25F3N8O2
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| Molecular Weight |
526.523
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| Canonical SMILES |
FC(F)(F)CC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3nc(no3)C3CC3)c2)CC1
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| InChI |
InChI=1S/C25H25F3N8O2/c26-25(27,28)13-21(37)36-9-7-35(8-10-36)14-15-5-6-29-20(11-15)32-24-30-18-4-3-17(12-19(18)31-24)23-33-22(34-38-23)16-1-2-16/h3-6,11-12,16H,1-2,7-10,13-14H2,(H2,29,30,31,32)
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| InChIKey |
NLHGPDUHURNAHF-UHFFFAOYSA-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