General Information of the Compound
| Compound ID |
CP0463215
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| Compound Name |
[4-[4-[(4-propan-2-ylsulfanylphenyl)methyl]piperidin-1-yl]piperidin-1-yl]-quinolin-5-ylmethanone
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| Structure |
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| Formula |
C30H37N3OS
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| Molecular Weight |
487.713
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| Canonical SMILES |
CC(C)Sc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc3ncccc23)cc1
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| InChI |
InChI=1S/C30H37N3OS/c1-22(2)35-26-10-8-23(9-11-26)21-24-12-17-32(18-13-24)25-14-19-33(20-15-25)30(34)28-5-3-7-29-27(28)6-4-16-31-29/h3-11,16,22,24-25H,12-15,17-21H2,1-2H3
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| InChIKey |
ZQIBSMJNQOCPSC-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