General Information of the Compound
| Compound ID |
CP0486847
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| Compound Name |
8-[2-[1-(cyclopentanecarbonyl)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]oxyethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
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| Structure |
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| Formula |
C31H38Cl2N4O3
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| Molecular Weight |
585.576
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| Canonical SMILES |
Clc1ccc(cc1Cl)C1(CCN(C1)C(=O)C1CCCC1)OCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
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| InChI |
InChI=1S/C31H38Cl2N4O3/c32-26-11-10-24(20-27(26)33)31(14-17-36(21-31)28(38)23-6-4-5-7-23)40-19-18-35-15-12-30(13-16-35)29(39)34-22-37(30)25-8-2-1-3-9-25/h1-3,8-11,20,23H,4-7,12-19,21-22H2,(H,34,39)
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| InChIKey |
BDGIQNNCLSFLPH-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