General Information of the Compound
| Compound ID |
CP0356149
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| Compound Name |
2-[(R)-[[(2S)-2-[[(2R)-3-acetamido-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-(furan-2-yl)methyl]prop-2-enamide
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| Structure |
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| Formula |
C31H36N6O7
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| Molecular Weight |
604.664
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| Canonical SMILES |
CC(=O)NC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1
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| InChI |
InChI=1S/C31H36N6O7/c1-18(28(33)40)27(26-9-6-14-44-26)37-30(42)24(16-20-7-4-3-5-8-20)35-31(43)25(17-34-19(2)38)36-29(41)23(32)15-21-10-12-22(39)13-11-21/h3-14,23-25,27,39H,1,15-17,32H2,2H3,(H2,33,40)(H,34,38)(H,35,43)(H,36,41)(H,37,42)/t23-,24-,25+,27+/m0/s1
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| InChIKey |
LNLXANGRXUGBFO-AGBXIKQOSA-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