General Information of the Compound
| Compound ID |
CP0494686
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| Compound Name |
8-[2-[1-benzyl-3-(3,4-dichlorophenyl)-5-oxopyrrolidin-3-yl]ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
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| Structure |
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| Formula |
C32H34Cl2N4O2
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| Molecular Weight |
577.556
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| Canonical SMILES |
Clc1ccc(cc1Cl)C1(CCN2CCC3(CC2)N(CNC3=O)c2ccccc2)CN(Cc2ccccc2)C(=O)C1
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| InChI |
InChI=1S/C32H34Cl2N4O2/c33-27-12-11-25(19-28(27)34)31(20-29(39)37(22-31)21-24-7-3-1-4-8-24)13-16-36-17-14-32(15-18-36)30(40)35-23-38(32)26-9-5-2-6-10-26/h1-12,19H,13-18,20-23H2,(H,35,40)
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| InChIKey |
FBZOHKINQDHYRF-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