General Information of the Compound
| Compound ID |
CP0485811
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| Compound Name |
N-[(1R)-1-[4-(4-ethylphenyl)-5-[2-(1H-indol-3-yl)ethyl]-4H-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
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| Structure |
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| Formula |
C36H39N7O
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| Molecular Weight |
585.756
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| Canonical SMILES |
CCc1ccc(cc1)-n1c(CCc2c[nH]c3ccccc23)nnc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCNCC1
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| InChI |
InChI=1S/C36H39N7O/c1-2-24-11-14-28(15-12-24)43-34(16-13-26-22-38-31-9-5-3-7-29(26)31)41-42-35(43)33(40-36(44)25-17-19-37-20-18-25)21-27-23-39-32-10-6-4-8-30(27)32/h3-12,14-15,22-23,25,33,37-39H,2,13,16-21H2,1H3,(H,40,44)/t33-/m1/s1
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| InChIKey |
SXXCJMWDJJZVGN-MGBGTMOVSA-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