General Information of the Compound
| Compound ID |
CP0712066
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| Compound Name |
2-[(R)-[[(2S)-2-[[(2R)-4-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-(2-furyl)methyl]prop-2-enamide
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| Structure |
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| Formula |
C32H37N7O6
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| Molecular Weight |
615.691
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| Canonical SMILES |
C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCN)NC(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccco1
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| InChI |
InChI=1S/C32H37N7O6/c1-18(29(35)41)28(27-7-4-14-45-27)39-32(44)26(16-20-17-36-24-6-3-2-5-22(20)24)38-31(43)25(12-13-33)37-30(42)23(34)15-19-8-10-21(40)11-9-19/h2-11,14,17,23,25-26,28,36,40H,1,12-13,15-16,33-34H2,(H2,35,41)(H,37,42)(H,38,43)(H,39,44)/t23-,25+,26-,28+/m0/s1
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| InChIKey |
BNGHRFYZCYSQJH-JGDRUYDSSA-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