General Information of the Compound
| Compound ID |
CP0845877
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| Compound Name |
(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-amino-4-oxo-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenyl-propanoyl]amino]-5-[[(1S)-1-benzyl-2-(methylamino)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
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| Structure |
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| Formula |
C39H47N7O10
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| Molecular Weight |
773.844
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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)[C@H](CC(N)=O)NC(C)=O
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| InChI |
InChI=1S/C39H47N7O10/c1-23(47)42-32(22-33(40)49)39(56)46-31(21-26-13-15-27(48)16-14-26)38(55)45-30(20-25-11-7-4-8-12-25)37(54)43-28(17-18-34(50)51)36(53)44-29(35(52)41-2)19-24-9-5-3-6-10-24/h3-16,28-32,48H,17-22H2,1-2H3,(H2,40,49)(H,41,52)(H,42,47)(H,43,54)(H,44,53)(H,45,55)(H,46,56)(H,50,51)/t28-,29-,30-,31-,32-/m0/s1
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| InChIKey |
NVQZWCLAYFQRHV-XDIGFQIYSA-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