General Information of the Compound
| Compound ID |
CP0958369
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| Compound Name |
(S)-6-amino-N-((S)-1-((R)-1-amino-3-mercapto-1-oxopropan-2-ylamino)-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 |
C38H48N8O6S
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| Molecular Weight |
744.919
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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(=O)N[C@@H](CS)C(N)=O
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| InChI |
InChI=1S/C38H48N8O6S/c39-17-7-6-12-30(36(50)45-31(19-24-13-15-26(47)16-14-24)37(51)46-33(22-53)34(41)48)43-38(52)32(20-25-21-42-29-11-5-4-10-27(25)29)44-35(49)28(40)18-23-8-2-1-3-9-23/h1-5,8-11,13-16,21,28,30-33,42,47,53H,6-7,12,17-20,22,39-40H2,(H2,41,48)(H,43,52)(H,44,49)(H,45,50)(H,46,51)/t28-,30-,31-,32-,33-/m0/s1
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| InChIKey |
OSGPRUKPHJUUAI-FLIXOAOSSA-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