General Information of the Compound
| Compound ID |
CP0456111
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| Compound Name |
CHEMBL2403855
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| Formula |
C26H30F3N3
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| Molecular Weight |
441.541
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| Canonical SMILES |
Cc1nc2cc(C)ccc2n1[C@@H]1CC[C@@H](CC1)NCC1Cc2ccc(cc2C1)C(F)(F)F
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| InChI |
InChI=1S/C26H30F3N3/c1-16-3-10-25-24(11-16)31-17(2)32(25)23-8-6-22(7-9-23)30-15-18-12-19-4-5-21(26(27,28)29)14-20(19)13-18/h3-5,10-11,14,18,22-23,30H,6-9,12-13,15H2,1-2H3/t18?,22-,23+
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| InChIKey |
KVDMASNWDVTZEE-KWZJIHQYSA-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