General Information of the Compound
| Compound ID |
CP0534173
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| Compound Name |
methyl 1-[3-[3-[4-chloro-3-[2-(4-chlorophenyl)ethynyl]phenyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-2-hydroxypropyl]piperidine-4-carboxylate
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| Structure |
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| Formula |
C31H34Cl2N4O5S
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| Molecular Weight |
645.609
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| Canonical SMILES |
COC(=O)C1CCN(CC(O)Cn2nc(c3CN(CCc23)S(C)(=O)=O)-c2ccc(Cl)c(c2)C#Cc2ccc(Cl)cc2)CC1
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| InChI |
InChI=1S/C31H34Cl2N4O5S/c1-42-31(39)22-11-14-35(15-12-22)18-26(38)19-37-29-13-16-36(43(2,40)41)20-27(29)30(34-37)24-7-10-28(33)23(17-24)6-3-21-4-8-25(32)9-5-21/h4-5,7-10,17,22,26,38H,11-16,18-20H2,1-2H3
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| InChIKey |
WMAMQEQQNAMERO-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