General Information of the Compound
| Compound ID |
CP0485202
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| Compound Name |
CHEMBL2315930
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| Formula |
C26H29F3N6O2
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| Molecular Weight |
514.552
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| Canonical SMILES |
COc1cnccc1[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F
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| InChI |
InChI=1S/C26H29F3N6O2/c1-37-23-11-30-9-8-20(23)16-2-5-19(6-3-16)35-13-18(14-35)34-24(36)12-31-25-21-10-17(26(27,28)29)4-7-22(21)32-15-33-25/h4,7-11,15-16,18-19H,2-3,5-6,12-14H2,1H3,(H,34,36)(H,31,32,33)/t16-,19+
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| InChIKey |
WUDISVMQPSNWSK-UWUNEBHHSA-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