General Information of the Compound
| Compound ID |
CP0566243
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| Compound Name |
CHEMBL3126044
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| Formula |
C22H23F2N3O3
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| Molecular Weight |
415.44
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| Canonical SMILES |
C[C@H]1CN([C@H]2CC[C@H](CC2)C(=O)Nc2ccc(cn2)-c2cc(F)cc(F)c2)C(=O)O1
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| InChI |
InChI=1S/C22H23F2N3O3/c1-13-12-27(22(29)30-13)19-5-2-14(3-6-19)21(28)26-20-7-4-15(11-25-20)16-8-17(23)10-18(24)9-16/h4,7-11,13-14,19H,2-3,5-6,12H2,1H3,(H,25,26,28)/t13-,14-,19+/m0/s1
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| InChIKey |
NICLXZKJEORIJZ-CKFHNAJUSA-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