General Information of the Compound
| Compound ID |
CP0545650
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| Compound Name |
US9125915, compound 11
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| Structure |
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| Formula |
C28H28FN5O2S
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| Molecular Weight |
517.63
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| Canonical SMILES |
CCOC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(cc1)N(C)c1ccc(F)cc1
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| InChI |
InChI=1S/C28H28FN5O2S/c1-6-36-24(35)15-23-27-32-31-18(4)34(27)28-25(16(2)17(3)37-28)26(30-23)19-7-11-21(12-8-19)33(5)22-13-9-20(29)10-14-22/h7-14,23H,6,15H2,1-5H3/t23-/m0/s1
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| InChIKey |
ACUDCGWCFBKYKV-QHCPKHFHSA-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