General Information of the Compound
| Compound ID |
CP0966604
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| Compound Name |
SID51086862
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| Structure |
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| Formula |
C21H25ClN4O4S
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| Molecular Weight |
464.975
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| Canonical SMILES |
O=C(NCCC1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1ccncc1
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| InChI |
InChI=1S/C21H25ClN4O4S/c22-17-4-6-19(7-5-17)31(29,30)26-14-2-1-3-18(26)10-13-24-20(27)21(28)25-15-16-8-11-23-12-9-16/h4-9,11-12,18H,1-3,10,13-15H2,(H,24,27)(H,25,28)
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| InChIKey |
ZDPFAFMGTCBHGX-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