General Information of the Compound
| Compound ID |
CP0013004
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| Compound Name |
US8952008, 13
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| Structure |
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| Formula |
C23H23FN4O3S
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| Molecular Weight |
454.527
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| Canonical SMILES |
CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1ccc(cc1OC)S(=O)(=O)C(C)C
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| InChI |
InChI=1S/C23H23FN4O3S/c1-5-28-13-25-22-19(12-26-27-23(22)28)15-6-9-20(24)18(10-15)17-8-7-16(11-21(17)31-4)32(29,30)14(2)3/h6-14H,5H2,1-4H3
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| InChIKey |
QHYFCCTYDPRQRM-UHFFFAOYSA-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