General Information of the Compound
| Compound ID |
CP0411137
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| Compound Name |
3-(4-methoxyphenyl)-9-[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 |
C28H37N5OS
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| Molecular Weight |
491.705
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| Canonical SMILES |
COc1ccc(cc1)N1CCC2(CCN(CCCSc3nnc(-c4ccccc4)n3C)CC2)CC1
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| InChI |
InChI=1S/C28H37N5OS/c1-31-26(23-7-4-3-5-8-23)29-30-27(31)35-22-6-17-32-18-13-28(14-19-32)15-20-33(21-16-28)24-9-11-25(34-2)12-10-24/h3-5,7-12H,6,13-22H2,1-2H3
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| InChIKey |
RBVCBWQAGOAYTL-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