General Information of the Compound
| Compound ID |
CP0011836
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| Compound Name |
US10196390, Compound I-231
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| Structure |
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| Formula |
C24H20F2N4O3
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| Molecular Weight |
450.445
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| Canonical SMILES |
Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2C(=O)NCc2n1
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| InChI |
InChI=1S/C24H20F2N4O3/c25-16-2-1-3-17(26)21(16)18-12-19(22-20(29-18)13-27-23(22)31)28-15-6-4-14(5-7-15)24(32)30-8-10-33-11-9-30/h1-7,12H,8-11,13H2,(H,27,31)(H,28,29)
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| InChIKey |
XDTKWAGKBLDFOE-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