General Information of the Compound
| Compound ID |
CP0540182
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| Compound Name |
(S)-2-{(2S,3S)-2-[(S)-2-({(S)-1-[(S)-5-(2-Amino-ethylamino)-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 |
C33H53N9O7
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| Molecular Weight |
687.843
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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](CCCNCCN)N=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(O)=O
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| InChI |
InChI=1S/C33H53N9O7/c1-5-21(4)28(31(46)38-26(33(48)49)18-20(2)3)39-29(44)25(19-22-10-12-23(43)13-11-22)37-30(45)27-9-7-17-42(27)32(47)24(40-41-35)8-6-15-36-16-14-34/h10-13,20-21,24-28,36,43H,5-9,14-19,34H2,1-4H3,(H,37,45)(H,38,46)(H,39,44)(H,48,49)/t21-,24-,25-,26-,27-,28-/m0/s1
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| InChIKey |
DGOTZRGOUQWEBW-NICUNNCGSA-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