General Information of the Compound
| Compound ID |
CP0530310
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| Compound Name |
3-(2-(4-(2-bromophenylsulfonyl)-2-(pyrrolidin-1-ylmethyl)piperazin-1-yl)-2-oxoethyl)-5-chlorobenzo[d]oxazol-2(3H)-one
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| Structure |
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| Formula |
C24H26BrClN4O5S
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| Molecular Weight |
597.919
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| Canonical SMILES |
Clc1ccc2oc(=O)n(CC(=O)N3CCN(CC3CN3CCCC3)S(=O)(=O)c3ccccc3Br)c2c1
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| InChI |
InChI=1S/C24H26BrClN4O5S/c25-19-5-1-2-6-22(19)36(33,34)28-11-12-29(18(15-28)14-27-9-3-4-10-27)23(31)16-30-20-13-17(26)7-8-21(20)35-24(30)32/h1-2,5-8,13,18H,3-4,9-12,14-16H2
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| InChIKey |
YHGQDKDWZTYMOC-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