General Information of the Compound
| Compound ID |
CP0548468
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| Compound Name |
(S)-2-{(2S,3S)-2-[(S)-2-({(S)-1-[(S)-5-(4-Amino-butylamino)-2-azido-pentanoyl]-pyrrolidine-2-carbonyl}-amino)-3-(4-hydroxy-phenyl)-propionylamino]-3-methyl-pentanoylamino}-4-methyl-pentanoic acid
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| Structure |
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| Formula |
C35H57N9O7
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| Molecular Weight |
715.897
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNCCCCN)N=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(O)=O
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| InChI |
InChI=1S/C35H57N9O7/c1-5-23(4)30(33(48)40-28(35(50)51)20-22(2)3)41-31(46)27(21-24-12-14-25(45)15-13-24)39-32(47)29-11-9-19-44(29)34(49)26(42-43-37)10-8-18-38-17-7-6-16-36/h12-15,22-23,26-30,38,45H,5-11,16-21,36H2,1-4H3,(H,39,47)(H,40,48)(H,41,46)(H,50,51)/t23-,26-,27-,28-,29-,30-/m0/s1
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| InChIKey |
DDUDMHTVUYANAL-OBXVVNIGSA-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