General Information of the Compound
| Compound ID |
CP0549444
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| Compound Name |
CHEMBL3126052
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| Formula |
C24H26F2N4O2
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| Molecular Weight |
440.494
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| Canonical SMILES |
Fc1cc(F)cc(c1)-c1ccc(NC(=O)[C@@H]2CC[C@@H](CC2)N2CCN(C3CC3)C2=O)nc1
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| InChI |
InChI=1S/C24H26F2N4O2/c25-18-11-17(12-19(26)13-18)16-3-8-22(27-14-16)28-23(31)15-1-4-20(5-2-15)29-9-10-30(24(29)32)21-6-7-21/h3,8,11-15,20-21H,1-2,4-7,9-10H2,(H,27,28,31)/t15-,20+
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| InChIKey |
NKKMISNLVZOACD-GSXCWMCISA-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