General Information of the Compound
| Compound ID |
CP0525852
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| Compound Name |
cinnolin-4-yl-[4-[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]piperidin-1-yl]methanone
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| Structure |
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| Formula |
C26H28Cl2N4O
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| Molecular Weight |
483.443
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| Canonical SMILES |
Clc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cnnc3ccccc23)cc1Cl
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| InChI |
InChI=1S/C26H28Cl2N4O/c27-23-6-5-19(16-24(23)28)15-18-7-11-31(12-8-18)20-9-13-32(14-10-20)26(33)22-17-29-30-25-4-2-1-3-21(22)25/h1-6,16-18,20H,7-15H2
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| InChIKey |
INRDXFLYZZTPAF-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