General Information of the Compound
| Compound ID |
CP0448502
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| Compound Name |
CHEMBL3361215
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| Formula |
C26H28F3N5O
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| Molecular Weight |
483.538
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| Canonical SMILES |
NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2cccc(c2)C(F)(F)F)CC1
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| InChI |
InChI=1S/C26H28F3N5O/c27-26(28,29)21-8-4-7-20(13-21)22-14-23(31-15-17-5-2-1-3-6-17)34-25(33-22)32-16-18-9-11-19(12-10-18)24(30)35/h1-8,13-14,18-19H,9-12,15-16H2,(H2,30,35)(H2,31,32,33,34)/t18-,19-
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| InChIKey |
SVKOTQBGQDTZSF-WGSAOQKQSA-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