General Information of the Compound
| Compound ID |
CP0397090
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| Compound Name |
CHEMBL3360659
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| Formula |
C19H22FN3O2
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| Molecular Weight |
343.402
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| Canonical SMILES |
Cc1cc(nc(NC[C@H]2CC[C@@H](CC2)C(O)=O)n1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C19H22FN3O2/c1-12-10-17(14-6-8-16(20)9-7-14)23-19(22-12)21-11-13-2-4-15(5-3-13)18(24)25/h6-10,13,15H,2-5,11H2,1H3,(H,24,25)(H,21,22,23)/t13-,15-
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| InChIKey |
DHRGOOQIKLOYSU-CTYIDZIISA-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