General Information of the Compound
| Compound ID |
CP0505415
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| Compound Name |
2-amino-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]acetamide
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| Structure |
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| Formula |
C32H33N7O
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| Molecular Weight |
531.664
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| Canonical SMILES |
CCc1ccc(cc1)-n1c(CCc2c[nH]c3ccccc23)nnc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN
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| InChI |
InChI=1S/C32H33N7O/c1-2-21-11-14-24(15-12-21)39-30(16-13-22-19-34-27-9-5-3-7-25(22)27)37-38-32(39)29(36-31(40)18-33)17-23-20-35-28-10-6-4-8-26(23)28/h3-12,14-15,19-20,29,34-35H,2,13,16-18,33H2,1H3,(H,36,40)/t29-/m1/s1
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| InChIKey |
ZKRKDYYBSBSWFU-GDLZYMKVSA-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