General Information of the Compound
| Compound ID |
CP0530357
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| Compound Name |
cinnolin-4-yl-[4-[4-[(4-propan-2-ylsulfanylphenyl)methyl]piperidin-1-yl]piperidin-1-yl]methanone
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| Structure |
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| Formula |
C29H36N4OS
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| Molecular Weight |
488.701
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| Canonical SMILES |
CC(C)Sc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cnnc3ccccc23)cc1
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| InChI |
InChI=1S/C29H36N4OS/c1-21(2)35-25-9-7-22(8-10-25)19-23-11-15-32(16-12-23)24-13-17-33(18-14-24)29(34)27-20-30-31-28-6-4-3-5-26(27)28/h3-10,20-21,23-24H,11-19H2,1-2H3
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| InChIKey |
XODXGCYDQIVEMZ-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