General Information of the Compound
| Compound ID |
CP0441894
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| Compound Name |
2-amino-N-((R)-1-(5-benzyl-4-hexyl-4H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl)-2-methylpropanamide
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| Structure |
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| Formula |
C29H38N6O
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| Molecular Weight |
486.664
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| Canonical SMILES |
CCCCCCn1c(Cc2ccccc2)nnc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N
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| InChI |
InChI=1S/C29H38N6O/c1-4-5-6-12-17-35-26(18-21-13-8-7-9-14-21)33-34-27(35)25(32-28(36)29(2,3)30)19-22-20-31-24-16-11-10-15-23(22)24/h7-11,13-16,20,25,31H,4-6,12,17-19,30H2,1-3H3,(H,32,36)/t25-/m1/s1
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| InChIKey |
BLFNAIFLVINSMV-RUZDIDTESA-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