General Information of the Compound
| Compound ID |
CP0378088
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| Compound Name |
4'-[(3-pentanoylamino-pyridin-2-ylamino)-methyl]-biphenyl-2-carboxylic acid methyl ester
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| Structure |
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| Formula |
C25H27N3O3
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| Molecular Weight |
417.509
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| Canonical SMILES |
CCCCC(=O)Nc1cccnc1NCc1ccc(cc1)-c1ccccc1C(=O)OC
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| InChI |
InChI=1S/C25H27N3O3/c1-3-4-11-23(29)28-22-10-7-16-26-24(22)27-17-18-12-14-19(15-13-18)20-8-5-6-9-21(20)25(30)31-2/h5-10,12-16H,3-4,11,17H2,1-2H3,(H,26,27)(H,28,29)
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| InChIKey |
JILRJPMFUBNRBH-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