General Information of the Compound
| Compound ID |
CP0476681
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| Compound Name |
2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]hexanoic acid
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| Structure |
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| Formula |
C35H55N7O11
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| Molecular Weight |
749.863
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| Canonical SMILES |
CCCCC(NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(O)=O
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| InChI |
InChI=1S/C35H55N7O11/c1-6-7-13-23(35(52)53)39-31(48)24(14-19(2)3)38-27(44)17-37-34(51)29(20(4)5)42-32(49)25(15-21-11-9-8-10-12-21)40-33(50)26(18-43)41-30(47)22(36)16-28(45)46/h8-12,19-20,22-26,29,43H,6-7,13-18,36H2,1-5H3,(H,37,51)(H,38,44)(H,39,48)(H,40,50)(H,41,47)(H,42,49)(H,45,46)(H,52,53)/t22-,23?,24-,25-,26-,29-/m0/s1
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| InChIKey |
TWIRHPORFCSGEQ-RKVOSHEXSA-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