General Information of the Compound
| Compound ID |
CP0014524
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| Compound Name |
1-[4-[[2-[[6-[1-(cyclopropylmethyl)pyrazol-4-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 |
C27H29F3N8O
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| Molecular Weight |
538.578
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| Canonical SMILES |
FC(F)(F)CC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3cnn(CC4CC4)c3)c2)CC1
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| InChI |
InChI=1S/C27H29F3N8O/c28-27(29,30)13-25(39)37-9-7-36(8-10-37)15-19-5-6-31-24(11-19)35-26-33-22-4-3-20(12-23(22)34-26)21-14-32-38(17-21)16-18-1-2-18/h3-6,11-12,14,17-18H,1-2,7-10,13,15-16H2,(H2,31,33,34,35)
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| InChIKey |
SSMPZXRXMBEUFU-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