General Information of the Compound
| Compound ID |
CP0430005
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| Compound Name |
[1-[4-(2,2-diphenylethylamino)-3-(morpholine-4-carbonyl)phenyl]sulfonylpiperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
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| Structure |
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| Formula |
C38H49N5O5S
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| Molecular Weight |
687.907
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| Canonical SMILES |
CC(C)N1CCN(CC1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(NCC(c2ccccc2)c2ccccc2)c(c1)C(=O)N1CCOCC1
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| InChI |
InChI=1S/C38H49N5O5S/c1-29(2)40-19-21-41(22-20-40)37(44)32-15-17-43(18-16-32)49(46,47)33-13-14-36(34(27-33)38(45)42-23-25-48-26-24-42)39-28-35(30-9-5-3-6-10-30)31-11-7-4-8-12-31/h3-14,27,29,32,35,39H,15-26,28H2,1-2H3
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| InChIKey |
XVHVQLPQBYHTFF-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