General Information of the Compound
| Compound ID |
CP0740011
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| Compound Name |
SID90340921
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| Structure |
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| Formula |
C22H27N3OS
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| Molecular Weight |
381.545
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| Canonical SMILES |
c1cc(CN2CCCCC2)cc(OCCCNc2nc3ccccc3s2)c1
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| InChI |
InChI=1S/C22H27N3OS/c1-4-13-25(14-5-1)17-18-8-6-9-19(16-18)26-15-7-12-23-22-24-20-10-2-3-11-21(20)27-22/h2-3,6,8-11,16H,1,4-5,7,12-15,17H2,(H,23,24)
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| InChIKey |
KUBONGDXTUOOLM-UHFFFAOYSA-N
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| CAS |
104076-38-2
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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