General Information of the Compound
| Compound ID |
CP0531003
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| Compound Name |
(S)-2-{(2S,3S)-2-[(S)-2-({(S)-1-[(S)-5-(3-Amino-propylamino)-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 |
C34H55N9O7
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| Molecular Weight |
701.87
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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](CCCNCCCN)N=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(O)=O
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| InChI |
InChI=1S/C34H55N9O7/c1-5-22(4)29(32(47)39-27(34(49)50)19-21(2)3)40-30(45)26(20-23-11-13-24(44)14-12-23)38-31(46)28-10-7-18-43(28)33(48)25(41-42-36)9-6-16-37-17-8-15-35/h11-14,21-22,25-29,37,44H,5-10,15-20,35H2,1-4H3,(H,38,46)(H,39,47)(H,40,45)(H,49,50)/t22-,25-,26-,27-,28-,29-/m0/s1
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| InChIKey |
UXNWGWJTBQZSKU-AGEVTBPVSA-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