General Information of the Compound
| Compound ID |
CP0491524
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| Compound Name |
US8802711, 109
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| Structure |
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| Formula |
C22H24FN3O2
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| Molecular Weight |
381.451
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| Canonical SMILES |
CN1C(=O)CCc2ccc(NC(=O)N[C@@H]3CC[C@H](C3)c3ccccc3F)cc12
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| InChI |
InChI=1S/C22H24FN3O2/c1-26-20-13-17(9-6-14(20)8-11-21(26)27)25-22(28)24-16-10-7-15(12-16)18-4-2-3-5-19(18)23/h2-6,9,13,15-16H,7-8,10-12H2,1H3,(H2,24,25,28)/t15-,16-/m1/s1
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| InChIKey |
RTYYAYSQQDQQIF-HZPDHXFCSA-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