General Information of the Compound
| Compound ID |
CP0526084
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| Compound Name |
8-[2-[1-(benzenesulfonyl)-4-(3,4-dichlorophenyl)piperidin-4-yl]oxyethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
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| Structure |
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| Formula |
C32H36Cl2N4O4S
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| Molecular Weight |
643.637
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| Canonical SMILES |
Clc1ccc(cc1Cl)C1(CCN(CC1)S(=O)(=O)c1ccccc1)OCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
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| InChI |
InChI=1S/C32H36Cl2N4O4S/c33-28-12-11-25(23-29(28)34)32(15-19-37(20-16-32)43(40,41)27-9-5-2-6-10-27)42-22-21-36-17-13-31(14-18-36)30(39)35-24-38(31)26-7-3-1-4-8-26/h1-12,23H,13-22,24H2,(H,35,39)
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| InChIKey |
IMAJGQONDPJLSO-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