General Information of the Compound
| Compound ID |
CP0433929
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| Compound Name |
CHEMBL2403866
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| Formula |
C25H27FN4
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| Molecular Weight |
402.517
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| Canonical SMILES |
Cc1nc2cc(F)ccc2n1[C@@H]1CC[C@@H](CC1)NC[C@H]1Cc2ccc(cc2C1)C#N
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| InChI |
InChI=1S/C25H27FN4/c1-16-29-24-13-21(26)4-9-25(24)30(16)23-7-5-22(6-8-23)28-15-18-11-19-3-2-17(14-27)10-20(19)12-18/h2-4,9-10,13,18,22-23,28H,5-8,11-12,15H2,1H3/t18-,22-,23+/m0/s1
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| InChIKey |
KQTXWKJKIOAAAJ-OFAXGOBFSA-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