General Information of the Compound
| Compound ID |
CP0881648
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| Compound Name |
SID164339398
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| Structure |
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| Formula |
C21H19BrN2O3S2
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| Molecular Weight |
491.432
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| Canonical SMILES |
O=C1/C(=C/c2cccc(Br)c2)SC(=S)N1CCC(=O)N(CCO)c1ccccc1
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| InChI |
InChI=1S/C21H19BrN2O3S2/c22-16-6-4-5-15(13-16)14-18-20(27)24(21(28)29-18)10-9-19(26)23(11-12-25)17-7-2-1-3-8-17/h1-8,13-14,25H,9-12H2/b18-14-
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| InChIKey |
UPRFZWDAJRKJQE-JXAWBTAJSA-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