General Information of the Compound
| Compound ID |
CP0652292
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| Compound Name |
N-(5-(3-acetamido-1-isopropyl-1H-pyrazol-5-yl)-3-(3-azabicyclo[3.1.0]hexan-3-yl)pyridin-2-yl)-2-chloro-6-fluoro-N-[2H]-methylbenzamide
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| Structure |
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| Formula |
C26H28ClFN6O2
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| Molecular Weight |
514.0193053
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| Canonical SMILES |
[2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ncc(-c2cc(NC(C)=O)nn2C(C)C)cc1N1CC2CC2C1
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| InChI |
InChI=1S/C26H28ClFN6O2/c1-14(2)34-21(10-23(31-34)30-15(3)35)16-9-22(33-12-17-8-18(17)13-33)25(29-11-16)32(4)26(36)24-19(27)6-5-7-20(24)28/h5-7,9-11,14,17-18H,8,12-13H2,1-4H3,(H,30,31,35)/i4D3
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| InChIKey |
BVSYOQKSSURMLP-GKOSEXJESA-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