General Information of the Compound
| Compound ID |
CP0517420
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| Compound Name |
8-[3-[1-(benzenesulfonyl)-3-(3,4-dichlorophenyl)azetidin-3-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
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| Structure |
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| Formula |
C31H34Cl2N4O3S
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| Molecular Weight |
613.611
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| Canonical SMILES |
Clc1ccc(cc1Cl)C1(CCCN2CCC3(CC2)N(CNC3=O)c2ccccc2)CN(C1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C31H34Cl2N4O3S/c32-27-13-12-24(20-28(27)33)30(21-36(22-30)41(39,40)26-10-5-2-6-11-26)14-7-17-35-18-15-31(16-19-35)29(38)34-23-37(31)25-8-3-1-4-9-25/h1-6,8-13,20H,7,14-19,21-23H2,(H,34,38)
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| InChIKey |
TVSZCWAGXHBDIO-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