General Information of the Compound
| Compound ID |
CP0526082
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| Compound Name |
8-[3-[3-(3,4-dichlorophenyl)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
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| Structure |
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| Formula |
C31H36Cl2N4O2
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| Molecular Weight |
567.561
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| Canonical SMILES |
Clc1ccc(cc1Cl)C1(CCCN2CCC3(CC2)N(CNC3=O)c2ccccc2)CCN(Cc2ccco2)C1
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| InChI |
InChI=1S/C31H36Cl2N4O2/c32-27-10-9-24(20-28(27)33)30(12-16-36(22-30)21-26-8-4-19-39-26)11-5-15-35-17-13-31(14-18-35)29(38)34-23-37(31)25-6-2-1-3-7-25/h1-4,6-10,19-20H,5,11-18,21-23H2,(H,34,38)
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| InChIKey |
JEFCMVCLMZSGMS-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