General Information of the Compound
| Compound ID |
CP0890893
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| Compound Name |
(R)-N-((R)-1-(4-(4-methoxybenzyl)-5-phenethyl-4,5-dihydro-1H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl)-2-amino-3-phenylpropanamide
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| Structure |
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| Formula |
C37H40N6O2
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| Molecular Weight |
600.767
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| Canonical SMILES |
COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](N)Cc3ccccc3)=NNC2CCc2ccccc2)cc1
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| InChI |
InChI=1S/C37H40N6O2/c1-45-30-19-16-28(17-20-30)25-43-35(21-18-26-10-4-2-5-11-26)41-42-36(43)34(23-29-24-39-33-15-9-8-14-31(29)33)40-37(44)32(38)22-27-12-6-3-7-13-27/h2-17,19-20,24,32,34-35,39,41H,18,21-23,25,38H2,1H3,(H,40,44)/t32-,34-,35?/m1/s1
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| InChIKey |
ZPQUPYAMVNDHEC-FBKNANETSA-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