General Information of the Compound
| Compound ID |
CP0511277
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| Compound Name |
8-[3-[1-benzyl-3-(3,4-dichlorophenyl)-6-oxopiperidin-3-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
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| Structure |
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| Formula |
C34H38Cl2N4O2
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| Molecular Weight |
605.61
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| Canonical SMILES |
Clc1ccc(cc1Cl)C1(CCCN2CCC3(CC2)N(CNC3=O)c2ccccc2)CCC(=O)N(Cc2ccccc2)C1
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| InChI |
InChI=1S/C34H38Cl2N4O2/c35-29-13-12-27(22-30(29)36)33(16-14-31(41)39(24-33)23-26-8-3-1-4-9-26)15-7-19-38-20-17-34(18-21-38)32(42)37-25-40(34)28-10-5-2-6-11-28/h1-6,8-13,22H,7,14-21,23-25H2,(H,37,42)
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| InChIKey |
XSVMXTIGTBKCGV-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