General Information of the Compound
| Compound ID |
CP0384046
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| Compound Name |
US9273043, C170(r)
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| Structure |
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| Formula |
C22H26FN5O3S
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| Molecular Weight |
459.547
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| Canonical SMILES |
C[C@H](O)[C@@H](O)c1cnc(N2CCN(CC2)C(=O)Nc2nc3cc(C)c(C)cc3s2)c(F)c1
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| InChI |
InChI=1S/C22H26FN5O3S/c1-12-8-17-18(9-13(12)2)32-21(25-17)26-22(31)28-6-4-27(5-7-28)20-16(23)10-15(11-24-20)19(30)14(3)29/h8-11,14,19,29-30H,4-7H2,1-3H3,(H,25,26,31)/t14-,19+/m0/s1
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| InChIKey |
AIJMYQIXMWNBRD-IFXJQAMLSA-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