General Information of the Compound
| Compound ID |
CP0442619
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| Compound Name |
(S)-N-((S)-1-((S)-1-(1-amino-1-oxooctan-2-ylamino)-1-oxo-3-phenylpropan-2-ylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)-1-((S)-2-amino-3-(4-hydroxyphenyl)propanoyl)pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C42H53N7O6
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| Molecular Weight |
751.929
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| Canonical SMILES |
CCCCCCC(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
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| InChI |
InChI=1S/C42H53N7O6/c1-2-3-4-8-16-34(38(44)51)46-39(52)35(24-27-12-6-5-7-13-27)47-40(53)36(25-29-26-45-33-15-10-9-14-31(29)33)48-41(54)37-17-11-22-49(37)42(55)32(43)23-28-18-20-30(50)21-19-28/h5-7,9-10,12-15,18-21,26,32,34-37,45,50H,2-4,8,11,16-17,22-25,43H2,1H3,(H2,44,51)(H,46,52)(H,47,53)(H,48,54)/t32-,34?,35-,36-,37-/m0/s1
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| InChIKey |
IMYCMDVCSHAEQG-WBHZCIDJSA-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