General Information of the Compound
| Compound ID |
CP0579877
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| Compound Name |
CHEMBL5197045
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| Formula |
C26H34FN3O2
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| Molecular Weight |
439.575
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| Canonical SMILES |
C[C@H]1CN(Cc2ccc(cc2)N(C)C(=O)[C@H]2CC[C@@H](CC2)Oc2ccc(F)cc2)CCN1
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| InChI |
InChI=1S/C26H34FN3O2/c1-19-17-30(16-15-28-19)18-20-3-9-23(10-4-20)29(2)26(31)21-5-11-24(12-6-21)32-25-13-7-22(27)8-14-25/h3-4,7-10,13-14,19,21,24,28H,5-6,11-12,15-18H2,1-2H3/t19-,21-,24-/m0/s1
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| InChIKey |
XSRJNPUCQNDPRR-PTLVVNQVSA-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