General Information of the Compound
| Compound ID |
CP0467687
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| Compound Name |
8-[2-[4-(3,4-dichlorophenyl)-1-(furan-2-carbonyl)piperidin-4-yl]oxyethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
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| Structure |
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| Formula |
C31H34Cl2N4O4
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| Molecular Weight |
597.543
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| Canonical SMILES |
Clc1ccc(cc1Cl)C1(CCN(CC1)C(=O)c1ccco1)OCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
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| InChI |
InChI=1S/C31H34Cl2N4O4/c32-25-9-8-23(21-26(25)33)31(12-16-36(17-13-31)28(38)27-7-4-19-40-27)41-20-18-35-14-10-30(11-15-35)29(39)34-22-37(30)24-5-2-1-3-6-24/h1-9,19,21H,10-18,20,22H2,(H,34,39)
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| InChIKey |
FVVHYUGPXSRXAE-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