General Information of the Compound
| Compound ID |
CP0511695
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| Compound Name |
8-[3-[3-(3,4-dichlorophenyl)-1-(furan-2-carbonyl)pyrrolidin-3-yl]propyl]-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
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| Structure |
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| Formula |
C32H36Cl2N4O3
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| Molecular Weight |
595.571
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| Canonical SMILES |
CN1CN(c2ccccc2)C2(CCN(CCCC3(CCN(C3)C(=O)c3ccco3)c3ccc(Cl)c(Cl)c3)CC2)C1=O
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| InChI |
InChI=1S/C32H36Cl2N4O3/c1-35-23-38(25-7-3-2-4-8-25)32(30(35)40)14-17-36(18-15-32)16-6-12-31(24-10-11-26(33)27(34)21-24)13-19-37(22-31)29(39)28-9-5-20-41-28/h2-5,7-11,20-21H,6,12-19,22-23H2,1H3
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| InChIKey |
WMULPHWGLXROBK-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