General Information of the Compound
| Compound ID |
CP0394286
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| Compound Name |
CHEMBL4250366
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| Formula |
C28H38F5N5OS
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| Molecular Weight |
587.703
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| Canonical SMILES |
CC(C)c1nnc(n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(C)s1)C(F)(F)F
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| InChI |
InChI=1S/C28H38F5N5OS/c1-16(2)24-35-36-26(28(31,32)33)38(24)21-14-19-5-6-20(15-21)37(19)13-10-22(23-7-4-17(3)40-23)34-25(39)18-8-11-27(29,30)12-9-18/h4,7,16,18-22H,5-6,8-15H2,1-3H3,(H,34,39)/t19-,20+,21-,22-/m0/s1
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| InChIKey |
PLEJLQMOVWMYKB-LRSLUSHPSA-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