General Information of the Compound
| Compound ID |
CP0499583
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| Compound Name |
CHEMBL2178388
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| Formula |
C21H23F2N3O3
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| Molecular Weight |
403.429
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| Canonical SMILES |
Cc1nc(C(F)F)c(nc1-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1)C(N)=O
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| InChI |
InChI=1S/C21H23F2N3O3/c1-11-17(26-19(21(24)29)18(25-11)20(22)23)15-8-6-14(7-9-15)13-4-2-12(3-5-13)10-16(27)28/h6-9,12-13,20H,2-5,10H2,1H3,(H2,24,29)(H,27,28)/t12-,13-
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| InChIKey |
HCTLEJRHZGHJML-JOCQHMNTSA-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