General Information of the Compound
| Compound ID |
CP0698580
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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-(1H-indol-3-yl)propanoyl]amino]-(2-furyl)methyl]prop-2-enamide
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| Structure |
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| Formula |
C33H37N7O7
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| Molecular Weight |
643.701
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| Canonical SMILES |
C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CNC(C)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccco1
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| InChI |
InChI=1S/C33H37N7O7/c1-18(30(35)43)29(28-8-5-13-47-28)40-32(45)26(15-21-16-37-25-7-4-3-6-23(21)25)38-33(46)27(17-36-19(2)41)39-31(44)24(34)14-20-9-11-22(42)12-10-20/h3-13,16,24,26-27,29,37,42H,1,14-15,17,34H2,2H3,(H2,35,43)(H,36,41)(H,38,46)(H,39,44)(H,40,45)/t24-,26-,27+,29+/m0/s1
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| InChIKey |
YNOYWPJNWOKIOD-VIUUMSQESA-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