General Information of the Compound
| Compound ID |
CP0139188
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| Compound Name |
2-[(R)-[[(2S)-2-[[(2R)-3-amino-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 |
C29H34N6O6
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| Molecular Weight |
562.627
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| Canonical SMILES |
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/C29H34N6O6/c1-17(26(32)37)25(24-8-5-13-41-24)35-28(39)22(15-18-6-3-2-4-7-18)33-29(40)23(16-30)34-27(38)21(31)14-19-9-11-20(36)12-10-19/h2-13,21-23,25,36H,1,14-16,30-31H2,(H2,32,37)(H,33,40)(H,34,38)(H,35,39)/t21-,22-,23+,25+/m0/s1
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| InChIKey |
GWPNDXQIMPCGRT-LYGMZBLVSA-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