General Information of the Compound
| Compound ID |
CP0488080
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| Compound Name |
N-(2-fluorophenyl)-4-[5-[(3,6,7-trimethyl-1-benzofuran-2-carbonyl)amino]pyridin-2-yl]piperazine-1-carboxamide
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| Structure |
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| Formula |
C28H28FN5O3
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| Molecular Weight |
501.562
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| Canonical SMILES |
Cc1c(oc2c(C)c(C)ccc12)C(=O)Nc1ccc(nc1)N1CCN(CC1)C(=O)Nc1ccccc1F
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| InChI |
InChI=1S/C28H28FN5O3/c1-17-8-10-21-19(3)26(37-25(21)18(17)2)27(35)31-20-9-11-24(30-16-20)33-12-14-34(15-13-33)28(36)32-23-7-5-4-6-22(23)29/h4-11,16H,12-15H2,1-3H3,(H,31,35)(H,32,36)
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| InChIKey |
CLPGJNTWNISGJM-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