General Information of the Compound
| Compound ID |
CP0499100
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| Compound Name |
2-(1-(3-(1-sec-butyl-1H-pyrazol-4-yl)benzyl)-1H-indol-3-ylsulfonyl)-N-(5-methylisoxazol-3-yl)acetamide
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| Structure |
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| Formula |
C28H29N5O4S
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| Molecular Weight |
531.638
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| Canonical SMILES |
CCC(C)n1cc(cn1)-c1cccc(Cn2cc(c3ccccc23)S(=O)(=O)CC(=O)Nc2cc(C)on2)c1
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| InChI |
InChI=1S/C28H29N5O4S/c1-4-19(2)33-16-23(14-29-33)22-9-7-8-21(13-22)15-32-17-26(24-10-5-6-11-25(24)32)38(35,36)18-28(34)30-27-12-20(3)37-31-27/h5-14,16-17,19H,4,15,18H2,1-3H3,(H,30,31,34)
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| InChIKey |
BCYHSRYXMVZHMI-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