General Information of the Compound
| Compound ID |
CP0236314
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| Compound Name |
US9169260, 57
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| Structure |
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| Formula |
C23H24FN7O3S
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| Molecular Weight |
497.556
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| Canonical SMILES |
Cc1ccc(c(F)c1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(C)(=O)=O
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| InChI |
InChI=1S/C23H24FN7O3S/c1-15-4-5-20(18(24)12-15)31-21(27-23(32)17-14-26-30-9-3-8-25-22(17)30)13-19(28-31)16-6-10-29(11-7-16)35(2,33)34/h3-5,8-9,12-14,16H,6-7,10-11H2,1-2H3,(H,27,32)
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| InChIKey |
SZQJFZVYWFCZNH-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