General Information of the Compound
| Compound ID |
CP0439072
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| Compound Name |
(2S)-2-[[2-[(4S)-4-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl]acetyl]amino]-3-phenylpropanoic acid
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| Structure |
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| Formula |
C41H52N6O8
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| Molecular Weight |
756.901
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)N[C@@H](Cc2ccccc2)C(O)=O)C1=O
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| InChI |
InChI=1S/C41H52N6O8/c1-5-25(4)36(46-37(50)31(44-38(51)35(42)24(2)3)19-27-15-17-30(48)18-16-27)39(52)45-32-21-28-13-9-10-14-29(28)22-47(40(32)53)23-34(49)43-33(41(54)55)20-26-11-7-6-8-12-26/h6-18,24-25,31-33,35-36,48H,5,19-23,42H2,1-4H3,(H,43,49)(H,44,51)(H,45,52)(H,46,50)(H,54,55)/t25-,31-,32-,33-,35-,36-/m0/s1
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| InChIKey |
IRVWFEPKJPEGIM-KBCQHTJQSA-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
Protein ID: PT01820, Aminopeptidase N
Protein ID: PT05116, Leucyl-cystinyl aminopeptidase