General Information of the Compound
| Compound ID |
CP0882703
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| Compound Name |
(S)-6-amino-N-((S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)-2-((S)-2-((S)-2-amino-3-phenylpropanamido)-3-(1H-indol-3-yl)propanamido)hexanamide
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| Formula |
C35H43N7O5
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| Molecular Weight |
641.773
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| Canonical SMILES |
NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
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| InChI |
InChI=1S/C35H43N7O5/c36-17-7-6-12-29(34(46)41-30(32(38)44)19-23-13-15-25(43)16-14-23)40-35(47)31(20-24-21-39-28-11-5-4-10-26(24)28)42-33(45)27(37)18-22-8-2-1-3-9-22/h1-5,8-11,13-16,21,27,29-31,39,43H,6-7,12,17-20,36-37H2,(H2,38,44)(H,40,47)(H,41,46)(H,42,45)/t27-,29-,30-,31-/m0/s1
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| InChIKey |
RJCYSTGPTPJPLG-QBCKSJLUSA-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