General Information of the Compound
| Compound ID |
CP0490293
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| Compound Name |
CHEMBL2315927
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| Formula |
C26H29F3N6O3
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| Molecular Weight |
530.551
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| Canonical SMILES |
COc1ccc(cn1)[C@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F
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| InChI |
InChI=1S/C26H29F3N6O3/c1-38-23-5-3-17(11-30-23)25(37)8-6-19(7-9-25)35-13-18(14-35)34-22(36)12-31-24-20-10-16(26(27,28)29)2-4-21(20)32-15-33-24/h2-5,10-11,15,18-19,37H,6-9,12-14H2,1H3,(H,34,36)(H,31,32,33)/t19-,25-
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| InChIKey |
MFANEEYLZLZCGQ-FEHRVWHQSA-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