General Information of the Compound
| Compound ID |
CP0071243
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| Compound Name |
3,4,5,6-Tetrahydro-2H-[1,2']bipyridinyl-4'-carboxylic acid [4'-(cyclopropylmethyl-carbamoyl)-6-methyl-biphenyl-3-yl]-amide
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| Structure |
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| Formula |
C29H32N4O2
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| Molecular Weight |
468.601
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| Canonical SMILES |
Cc1ccc(NC(=O)c2ccnc(c2)N2CCCCC2)cc1-c1ccc(cc1)C(=O)NCC1CC1
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| InChI |
InChI=1S/C29H32N4O2/c1-20-5-12-25(32-29(35)24-13-14-30-27(17-24)33-15-3-2-4-16-33)18-26(20)22-8-10-23(11-9-22)28(34)31-19-21-6-7-21/h5,8-14,17-18,21H,2-4,6-7,15-16,19H2,1H3,(H,31,34)(H,32,35)
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| InChIKey |
MDEAKINSCUXXNF-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
Protein ID: PT03101, Heat shock protein beta-1
Protein ID: PT00861, Mitogen-activated protein kinase 14