General Information of the Compound
| Compound ID |
CP0484248
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| Compound Name |
4'-{(R)-1-[3-(2-cyano-acetylamino)-4-methyl-pyridin-2-ylamino]-ethyl}-5-methyl-biphenyl-2-carboxylic acid methyl ester
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| Structure |
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| Formula |
C26H26N4O3
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| Molecular Weight |
442.519
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| Canonical SMILES |
COC(=O)c1ccc(C)cc1-c1ccc(cc1)[C@@H](C)Nc1nccc(C)c1NC(=O)CC#N
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| InChI |
InChI=1S/C26H26N4O3/c1-16-5-10-21(26(32)33-4)22(15-16)20-8-6-19(7-9-20)18(3)29-25-24(17(2)12-14-28-25)30-23(31)11-13-27/h5-10,12,14-15,18H,11H2,1-4H3,(H,28,29)(H,30,31)/t18-/m1/s1
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| InChIKey |
HHMJLNAXDAMZDZ-GOSISDBHSA-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: PT01032, B1 bradykinin receptor
Protein ID: PT02392, B2 bradykinin receptor