General Information of the Compound
| Compound ID |
CP0543819
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| Compound Name |
CHEMBL4594207
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| Formula |
C26H35FN4O4S
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| Molecular Weight |
518.655
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| Canonical SMILES |
Fc1ccc(CN[C@H]2CC[C@H](CS(=O)(=O)N3CCC(CC3)NC(=O)c3cc(on3)C3CC3)CC2)cc1
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| InChI |
InChI=1S/C26H35FN4O4S/c27-21-7-1-18(2-8-21)16-28-22-9-3-19(4-10-22)17-36(33,34)31-13-11-23(12-14-31)29-26(32)24-15-25(35-30-24)20-5-6-20/h1-2,7-8,15,19-20,22-23,28H,3-6,9-14,16-17H2,(H,29,32)/t19-,22-
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| InChIKey |
GMVAJNAYGZJRNX-XYWHTSSQSA-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