General Information of the Compound
| Compound ID |
CP0378566
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| Compound Name |
(R)-N-(1-(4-(2-(1H-indol-3-yl)ethyl)-5-(3-(1H-indol-3-yl)propyl)-4H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl)-2-amino-2-methylpropanamide
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| Structure |
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| Formula |
C37H40N8O
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| Molecular Weight |
612.782
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| Canonical SMILES |
CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCCc2c[nH]c3ccccc23)n1CCc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C37H40N8O/c1-37(2,38)36(46)42-33(20-26-23-41-32-16-8-5-13-29(26)32)35-44-43-34(17-9-10-24-21-39-30-14-6-3-11-27(24)30)45(35)19-18-25-22-40-31-15-7-4-12-28(25)31/h3-8,11-16,21-23,33,39-41H,9-10,17-20,38H2,1-2H3,(H,42,46)/t33-/m1/s1
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| InChIKey |
CIXYXKBZBPULRJ-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