General Information of the Compound
| Compound ID |
CP0912755
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| Compound Name |
(S)-4-((S)-2-((S)-3-(4-hydroxyphenyl)-2-(2-nitrobenzamido)propanamido)-3-phenylpropanamido)-5-((S)-1-(methylamino)-1-oxo-3-phenylpropan-2-ylamino)-5-oxopentanoic acid
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| Structure |
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| Formula |
C40H42N6O10
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| Molecular Weight |
766.808
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| Canonical SMILES |
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1[N+](=O)[O-]
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| InChI |
InChI=1S/C40H42N6O10/c1-41-37(51)31(22-25-10-4-2-5-11-25)44-38(52)30(20-21-35(48)49)42-39(53)33(23-26-12-6-3-7-13-26)45-40(54)32(24-27-16-18-28(47)19-17-27)43-36(50)29-14-8-9-15-34(29)46(55)56/h2-19,30-33,47H,20-24H2,1H3,(H,41,51)(H,42,53)(H,43,50)(H,44,52)(H,45,54)(H,48,49)/t30-,31-,32-,33-/m0/s1
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| InChIKey |
CHHQYRLAKDWESY-YRCZKMHPSA-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