General Information of the Compound
| Compound ID |
CP0459128
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| Compound Name |
CHEMBL4240475
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| Formula |
C26H37F2N5OS
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| Molecular Weight |
505.679
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| Canonical SMILES |
CCc1nnc(C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccsc1
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| InChI |
InChI=1S/C26H37F2N5OS/c1-3-24-31-30-17(2)33(24)22-14-20-4-5-21(15-22)32(20)12-8-23(19-9-13-35-16-19)29-25(34)18-6-10-26(27,28)11-7-18/h9,13,16,18,20-23H,3-8,10-12,14-15H2,1-2H3,(H,29,34)/t20-,21+,22-,23-/m0/s1
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| InChIKey |
JVEABUUNWDYOEF-BJESRGMDSA-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