General Information of the Compound
| Compound ID |
CP0511279
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| Compound Name |
8-[2-[3-(3,4-dichlorophenyl)-1-(furan-2-carbonyl)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 |
C30H32Cl2N4O4
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| Molecular Weight |
583.516
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| Canonical SMILES |
Clc1ccc(cc1Cl)C1(CCN(C1)C(=O)c1ccco1)OCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
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| InChI |
InChI=1S/C30H32Cl2N4O4/c31-24-9-8-22(19-25(24)32)30(12-15-35(20-30)27(37)26-7-4-17-39-26)40-18-16-34-13-10-29(11-14-34)28(38)33-21-36(29)23-5-2-1-3-6-23/h1-9,17,19H,10-16,18,20-21H2,(H,33,38)
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| InChIKey |
AAFIDRUCDKVRAX-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