General Information of the Compound
| Compound ID |
CP0848185
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| Compound Name |
N-((R)-1-(5-((R)-1-((S)-2-((S)-2-acetamido-4-methylpentanamido)-4-methylpentanamido)-2-(1H-indol-3-yl)ethyl)-4-(4-methoxybenzyl)-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 |
C50H64N10O5
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| Molecular Weight |
885.127
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| Canonical SMILES |
COc1ccc(Cn2c([C@H](Cc3c[nH]c4ccccc34)NC(=O)C3CCNCC3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(C)=O)cc1
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| InChI |
InChI=1S/C50H64N10O5/c1-30(2)23-44(54-32(5)61)49(63)57-45(24-31(3)4)50(64)56-43(26-36-28-53-41-14-10-8-12-39(36)41)47-59-58-46(60(47)29-33-15-17-37(65-6)18-16-33)42(55-48(62)34-19-21-51-22-20-34)25-35-27-52-40-13-9-7-11-38(35)40/h7-18,27-28,30-31,34,42-45,51-53H,19-26,29H2,1-6H3,(H,54,61)(H,55,62)(H,56,64)(H,57,63)/t42-,43+,44+,45+/m0/s1
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| InChIKey |
WDNCTAOENIQVSW-HLBUBFAMSA-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