General Information of the Compound
| Compound ID |
CP0418342
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| Compound Name |
US8952008, 47
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| Structure |
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| Formula |
C23H21N5O3S
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| Molecular Weight |
447.52
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| Canonical SMILES |
CCn1cnc2c(cnnc12)-c1ccc([N+]#[C-])c(c1)-c1ccc(cc1OC)S(=O)(=O)CC
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| InChI |
InChI=1S/C23H21N5O3S/c1-5-28-14-25-22-19(13-26-27-23(22)28)15-7-10-20(24-3)18(11-15)17-9-8-16(12-21(17)31-4)32(29,30)6-2/h7-14H,5-6H2,1-2,4H3
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| InChIKey |
DPKWUFMPSCCEGN-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