General Information of the Compound
| Compound ID |
CP0485377
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| Compound Name |
CHEMBL4240242
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| Formula |
C27H36F5N5OS
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| Molecular Weight |
573.676
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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)c1cccs1)C(F)(F)F
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| InChI |
InChI=1S/C27H36F5N5OS/c1-16(2)23-34-35-25(27(30,31)32)37(23)20-14-18-5-6-19(15-20)36(18)12-9-21(22-4-3-13-39-22)33-24(38)17-7-10-26(28,29)11-8-17/h3-4,13,16-21H,5-12,14-15H2,1-2H3,(H,33,38)/t18-,19+,20-,21-/m0/s1
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| InChIKey |
OERDCIDBAUBFBJ-WOZUAGRISA-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