General Information of the Compound
| Compound ID |
CP0457673
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| Compound Name |
3-(4-(2-(5-chloro-2-oxobenzo[d]oxazol-3(2H)-yl)acetyl)-3-(pyrrolidin-1-ylmethyl)piperazin-1-ylsulfonyl)benzonitrile
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| Structure |
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| Formula |
C25H26ClN5O5S
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| Molecular Weight |
544.033
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| Canonical SMILES |
Clc1ccc2oc(=O)n(CC(=O)N3CCN(CC3CN3CCCC3)S(=O)(=O)c3cccc(c3)C#N)c2c1
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| InChI |
InChI=1S/C25H26ClN5O5S/c26-19-6-7-23-22(13-19)31(25(33)36-23)17-24(32)30-11-10-29(16-20(30)15-28-8-1-2-9-28)37(34,35)21-5-3-4-18(12-21)14-27/h3-7,12-13,20H,1-2,8-11,15-17H2
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| InChIKey |
UEUUMCKDBZXZNF-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