General Information of the Compound
| Compound ID |
CP0452624
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| Compound Name |
6-chloro-N-((1R,3r,5S)-8-(((1-(3-hydroxypropyl)piperidin-4-yl)methyl)sulfonyl)-8-azabicyclo[3.2.1]octan-3-yl)-2-oxoindoline-5-carboxamide
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| Formula |
C25H35ClN4O5S
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| Molecular Weight |
539.098
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| Canonical SMILES |
OCCCN1CCC(CS(=O)(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)NC(=O)c2cc3CC(=O)Nc3cc2Cl)CC1
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| InChI |
InChI=1S/C25H35ClN4O5S/c26-22-14-23-17(11-24(32)28-23)10-21(22)25(33)27-18-12-19-2-3-20(13-18)30(19)36(34,35)15-16-4-7-29(8-5-16)6-1-9-31/h10,14,16,18-20,31H,1-9,11-13,15H2,(H,27,33)(H,28,32)/t18-,19+,20-
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| InChIKey |
CWEYDMDMNCOZBA-ACDBMABISA-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