General Information of the Compound
| Compound ID |
CP0408793
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| Compound Name |
(2R)-6-amino-2-[[4-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]benzoyl]amino]hexanoic acid
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| Structure |
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| Formula |
C29H36N4O3
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| Molecular Weight |
488.632
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| Canonical SMILES |
C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)C(=O)N[C@H](CCCCN)C(O)=O)c1cccc2ccccc12
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| InChI |
InChI=1S/C29H36N4O3/c1-20(25-10-6-8-21-7-2-3-9-26(21)25)31-23-16-18-33(19-23)24-14-12-22(13-15-24)28(34)32-27(29(35)36)11-4-5-17-30/h2-3,6-10,12-15,20,23,27,31H,4-5,11,16-19,30H2,1H3,(H,32,34)(H,35,36)/t20-,23+,27-/m1/s1
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| InChIKey |
VMHMNFDZZDGSOC-PCGJDWNTSA-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