General Information of the Compound
| Compound ID |
CP0416959
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| Compound Name |
3-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,9-diazaspiro[5.5]undecane
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| Structure |
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| Formula |
C21H31N5S
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| Molecular Weight |
385.581
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| Canonical SMILES |
Cn1c(SCCCN2CCC3(CCNCC3)CC2)nnc1-c1ccccc1
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| InChI |
InChI=1S/C21H31N5S/c1-25-19(18-6-3-2-4-7-18)23-24-20(25)27-17-5-14-26-15-10-21(11-16-26)8-12-22-13-9-21/h2-4,6-7,22H,5,8-17H2,1H3
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| InChIKey |
UDZHORRPPMFMKH-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