General Information of the Compound
| Compound ID |
CP0487075
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| Compound Name |
CHEMBL3126042
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| Formula |
C21H21F2N3O3
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| Molecular Weight |
401.413
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| Canonical SMILES |
Fc1cc(F)cc(c1)-c1ccc(NC(=O)[C@@H]2CC[C@@H](CC2)N2CCOC2=O)nc1
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| InChI |
InChI=1S/C21H21F2N3O3/c22-16-9-15(10-17(23)11-16)14-3-6-19(24-12-14)25-20(27)13-1-4-18(5-2-13)26-7-8-29-21(26)28/h3,6,9-13,18H,1-2,4-5,7-8H2,(H,24,25,27)/t13-,18+
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| InChIKey |
YPQQARNVJDILSU-QGGXVJLZSA-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