General Information of the Compound
| Compound ID |
CP0457672
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| Compound Name |
4-(4-(2-(5-chloro-2-oxobenzo[d]oxazol-3(2H)-yl)acetyl)-3-(pyrrolidin-1-ylmethyl)piperazin-1-ylsulfonyl)-2-hydroxybenzoic acid
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| Structure |
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| Formula |
C25H27ClN4O8S
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| Molecular Weight |
579.031
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| Canonical SMILES |
OC(=O)c1ccc(cc1O)S(=O)(=O)N1CCN(C(CN2CCCC2)C1)C(=O)Cn1c2cc(Cl)ccc2oc1=O
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| InChI |
InChI=1S/C25H27ClN4O8S/c26-16-3-6-22-20(11-16)30(25(35)38-22)15-23(32)29-10-9-28(14-17(29)13-27-7-1-2-8-27)39(36,37)18-4-5-19(24(33)34)21(31)12-18/h3-6,11-12,17,31H,1-2,7-10,13-15H2,(H,33,34)
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| InChIKey |
SAGFNXSRBXHXAQ-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