General Information of the Compound
| Compound ID |
CP0845821
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| Compound Name |
(S)-5-((S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-ylamino)-4-((S)-2-((S)-3-(4-hydroxyphenyl)-2-(2-nitrobenzamido)propanamido)-3-phenylpropanamido)-5-oxopentanoic acid
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| Structure |
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| Formula |
C42H43N7O10
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| Molecular Weight |
805.845
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| Canonical SMILES |
CNC(=O)[C@H](Cc1c[nH]c2ccccc12)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/C42H43N7O10/c1-43-39(54)35(23-27-24-44-31-13-7-5-11-29(27)31)48-40(55)32(19-20-37(51)52)45-41(56)34(21-25-9-3-2-4-10-25)47-42(57)33(22-26-15-17-28(50)18-16-26)46-38(53)30-12-6-8-14-36(30)49(58)59/h2-18,24,32-35,44,50H,19-23H2,1H3,(H,43,54)(H,45,56)(H,46,53)(H,47,57)(H,48,55)(H,51,52)/t32-,33-,34-,35-/m0/s1
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| InChIKey |
IFQHCTOJXIZJKD-BBACVFHCSA-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