General Information of the Compound
| Compound ID |
CP0528258
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| Compound Name |
US10196390, Compound I-182
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| Structure |
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| Formula |
C23H19F4N5O
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| Molecular Weight |
457.431
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| Canonical SMILES |
Fc1cccc(F)c1-c1cc(Nc2ccc(cn2)N2CCC(F)(F)CC2)c2C(=O)NCc2n1
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| InChI |
InChI=1S/C23H19F4N5O/c24-14-2-1-3-15(25)20(14)16-10-17(21-18(30-16)12-29-22(21)33)31-19-5-4-13(11-28-19)32-8-6-23(26,27)7-9-32/h1-5,10-11H,6-9,12H2,(H,29,33)(H,28,30,31)
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| InChIKey |
FTOZFPJBOXLHFW-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