General Information of the Compound
| Compound ID |
CP0436113
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| Compound Name |
N-[4-[4-[2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]-3-(pyrrolidin-1-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide
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| Structure |
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| Formula |
C26H30ClN5O6S
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| Molecular Weight |
576.075
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| Canonical SMILES |
CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(C(CN2CCCC2)C1)C(=O)Cn1c2cc(Cl)ccc2oc1=O
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| InChI |
InChI=1S/C26H30ClN5O6S/c1-18(33)28-20-5-7-22(8-6-20)39(36,37)30-12-13-31(21(16-30)15-29-10-2-3-11-29)25(34)17-32-23-14-19(27)4-9-24(23)38-26(32)35/h4-9,14,21H,2-3,10-13,15-17H2,1H3,(H,28,33)
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| InChIKey |
OHPKPZOXTJTMDD-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