General Information of the Compound
| Compound ID |
CP0283452
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| Compound Name |
CHEMBL3786100
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| Formula |
C28H34FN5O3S
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| Molecular Weight |
539.677
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| Canonical SMILES |
Nc1ncnc2n(cc(-c3cc(OCC45CCC(CC4)O5)ccc3F)c12)[C@@H]1C[C@H](CN2CC[S+]([O-])CC2)C1
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| InChI |
InChI=1S/C28H34FN5O3S/c29-24-2-1-21(36-16-28-5-3-20(37-28)4-6-28)13-22(24)23-15-34(27-25(23)26(30)31-17-32-27)19-11-18(12-19)14-33-7-9-38(35)10-8-33/h1-2,13,15,17-20H,3-12,14,16H2,(H2,30,31,32)/t18-,19+,20?,28?
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| InChIKey |
JAXCPMZZRNLZBU-ITXHVEOOSA-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