General Information of the Compound
| Compound ID |
CP0168866
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| Compound Name |
1-(1-(3-(3-(3,4-dichlorophenyl)-5-(methylsulfonyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)propyl)piperidin-4-yl)-3-methyl-1H-benzo[d]imidazol-2(3H)-one
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| Structure |
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| Formula |
C29H34Cl2N6O3S
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| Molecular Weight |
617.603
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| Canonical SMILES |
Cn1c2ccccc2n(C2CCN(CCCn3nc(c4CN(CCc34)S(C)(=O)=O)-c3ccc(Cl)c(Cl)c3)CC2)c1=O
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| InChI |
InChI=1S/C29H34Cl2N6O3S/c1-33-26-6-3-4-7-27(26)37(29(33)38)21-10-15-34(16-11-21)13-5-14-36-25-12-17-35(41(2,39)40)19-22(25)28(32-36)20-8-9-23(30)24(31)18-20/h3-4,6-9,18,21H,5,10-17,19H2,1-2H3
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| InChIKey |
YQQYXWVMTOUJTM-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