General Information of the Compound
| Compound ID |
CP0494685
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| Compound Name |
8-[3-[1-benzyl-3-(3,4-dichlorophenyl)-5-oxopyrrolidin-3-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
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| Structure |
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| Formula |
C33H36Cl2N4O2
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| Molecular Weight |
591.583
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| Canonical SMILES |
Clc1ccc(cc1Cl)C1(CCCN2CCC3(CC2)N(CNC3=O)c2ccccc2)CN(Cc2ccccc2)C(=O)C1
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| InChI |
InChI=1S/C33H36Cl2N4O2/c34-28-13-12-26(20-29(28)35)32(21-30(40)38(23-32)22-25-8-3-1-4-9-25)14-7-17-37-18-15-33(16-19-37)31(41)36-24-39(33)27-10-5-2-6-11-27/h1-6,8-13,20H,7,14-19,21-24H2,(H,36,41)
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| InChIKey |
RVQFDCYLUPNTJZ-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