General Information of the Compound
| Compound ID |
CP0560236
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| Compound Name |
2-[8-[2-[bis(4-fluorophenyl)methylsulfanyl]ethyl]-2,8-diazaspiro[4.5]decan-2-yl]-1-phenylethanol
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| Structure |
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| Formula |
C31H36F2N2OS
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| Molecular Weight |
522.705
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| Canonical SMILES |
OC(CN1CCC2(C1)CCN(CCSC(c1ccc(F)cc1)c1ccc(F)cc1)CC2)c1ccccc1
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| InChI |
InChI=1S/C31H36F2N2OS/c32-27-10-6-25(7-11-27)30(26-8-12-28(33)13-9-26)37-21-20-34-17-14-31(15-18-34)16-19-35(23-31)22-29(36)24-4-2-1-3-5-24/h1-13,29-30,36H,14-23H2
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| InChIKey |
KCDKRLPOCAPTCW-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