General Information of the Compound
| Compound ID |
CP0858469
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| Compound Name |
SID22414355
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| Structure |
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| Formula |
C22H23N3O3S
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| Molecular Weight |
409.511
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| Canonical SMILES |
O=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NCc1cccnc1
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| InChI |
InChI=1S/C22H23N3O3S/c26-22(24-16-20-7-4-14-23-15-20)13-10-18-8-11-21(12-9-18)29(27,28)25-17-19-5-2-1-3-6-19/h1-9,11-12,14-15,25H,10,13,16-17H2,(H,24,26)
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| InChIKey |
LDQPURBNRXHPMQ-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