General Information of the Compound
| Compound ID |
CP0559372
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| Compound Name |
US10336717, Compound 583
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| Formula |
C22H23F2N3O3
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| Molecular Weight |
415.44
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| Canonical SMILES |
CN1C(N)=NC2(C1=O)c1cc(ccc1O[C@@]21CC[C@@H](CC1)OC(F)F)C#CC1CC1
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| InChI |
InChI=1S/C22H23F2N3O3/c1-27-18(28)22(26-20(27)25)16-12-14(5-4-13-2-3-13)6-7-17(16)30-21(22)10-8-15(9-11-21)29-19(23)24/h6-7,12-13,15,19H,2-3,8-11H2,1H3,(H2,25,26)/t15-,21+,22?
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| InChIKey |
XJXUWJMKXRUYMJ-XPYIILQESA-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