General Information of the Compound
| Compound ID |
CP0565292
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| Compound Name |
4-amino-1-[(2R)-6-amino-2-[[(2R)-4-methyl-2-[[(2R)-3-phenyl-2-[[2-(2-phenylethylamino)acetyl]amino]propanoyl]amino]pentanoyl]amino]hexanoyl]piperidine-4-carboxylic acid
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| Structure |
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| Formula |
C37H55N7O6
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| Molecular Weight |
693.89
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| Canonical SMILES |
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNCCc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(N)(CC1)C(O)=O
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| InChI |
InChI=1S/C37H55N7O6/c1-26(2)23-30(33(46)42-29(15-9-10-19-38)35(48)44-21-17-37(39,18-22-44)36(49)50)43-34(47)31(24-28-13-7-4-8-14-28)41-32(45)25-40-20-16-27-11-5-3-6-12-27/h3-8,11-14,26,29-31,40H,9-10,15-25,38-39H2,1-2H3,(H,41,45)(H,42,46)(H,43,47)(H,49,50)/t29-,30-,31-/m1/s1
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| InChIKey |
RURKWUJZPMAMQP-JFHPUIQFSA-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