General Information of the Compound
| Compound ID |
CP0170125
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| Compound Name |
US10562854, No. D10
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| Structure |
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| Formula |
C23H31N3O4S
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| Molecular Weight |
445.585
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)n1ccc(CN2CCC(CC2)N2CCCCC2)c(O)c1=O
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| InChI |
InChI=1S/C23H31N3O4S/c1-18-5-7-21(8-6-18)31(29,30)26-16-9-19(22(27)23(26)28)17-24-14-10-20(11-15-24)25-12-3-2-4-13-25/h5-9,16,20,27H,2-4,10-15,17H2,1H3
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| InChIKey |
ADTSWGMSEGSYRB-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