General Information of the Compound
| Compound ID |
CP0555922
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| Compound Name |
4-amino-1-[(2R)-6-amino-2-[[(2R)-4-methyl-2-[[(2R)-3-phenyl-2-[[2-[[(2S)-2-phenylpropyl]amino]acetyl]amino]propanoyl]amino]pentanoyl]amino]hexanoyl]piperidine-4-carboxylic acid
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| Structure |
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| Formula |
C38H57N7O6
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| Molecular Weight |
707.917
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| Canonical SMILES |
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC[C@@H](C)c1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(N)(CC1)C(O)=O
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| InChI |
InChI=1S/C38H57N7O6/c1-26(2)22-31(34(47)43-30(16-10-11-19-39)36(49)45-20-17-38(40,18-21-45)37(50)51)44-35(48)32(23-28-12-6-4-7-13-28)42-33(46)25-41-24-27(3)29-14-8-5-9-15-29/h4-9,12-15,26-27,30-32,41H,10-11,16-25,39-40H2,1-3H3,(H,42,46)(H,43,47)(H,44,48)(H,50,51)/t27-,30-,31-,32-/m1/s1
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| InChIKey |
AYIXVIHRKYGICQ-NAAWPRQVSA-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