General Information of the Compound
| Compound ID |
CP0543818
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| Compound Name |
CHEMBL4521928
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| Formula |
C19H30N4O4S
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| Molecular Weight |
410.54
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| Canonical SMILES |
N[C@H]1CC[C@H](CS(=O)(=O)N2CCC(CC2)NC(=O)c2cc(on2)C2CC2)CC1
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| InChI |
InChI=1S/C19H30N4O4S/c20-15-5-1-13(2-6-15)12-28(25,26)23-9-7-16(8-10-23)21-19(24)17-11-18(27-22-17)14-3-4-14/h11,13-16H,1-10,12,20H2,(H,21,24)/t13-,15-
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| InChIKey |
WISIIYTTZURXTK-CTYIDZIISA-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