General Information of the Compound
| Compound ID |
CP0472258
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| Compound Name |
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-aminopent-4-enoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]pent-4-enoyl]amino]-4-methylpentanoic acid
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| Structure |
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| Formula |
C36H55N7O8
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| Molecular Weight |
713.877
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC=C)C(O)=O
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| InChI |
InChI=1S/C36H55N7O8/c1-5-10-25(38)31(45)40-27(12-7-8-18-37)35(49)43-19-9-13-30(43)34(48)41-28(21-23-14-16-24(44)17-15-23)33(47)39-26(11-6-2)32(46)42-29(36(50)51)20-22(3)4/h5-6,14-17,22,25-30,44H,1-2,7-13,18-21,37-38H2,3-4H3,(H,39,47)(H,40,45)(H,41,48)(H,42,46)(H,50,51)/t25-,26-,27-,28-,29-,30-/m0/s1
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| InChIKey |
WNEPMRPWKIJRLO-WPMUBMLPSA-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