General Information of the Compound
| Compound ID |
CP0264001
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| Compound Name |
(4S)-4-acetamido-5-[[(2S,3R)-1-[[(2S)-1-[(3-fluoro-2-oxopropyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
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| Structure |
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| Formula |
C23H31FN4O8
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| Molecular Weight |
510.519
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| Canonical SMILES |
C[C@@H](O)[C@H](NC(=O)[C@H](CCC(O)=O)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)CF
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| InChI |
InChI=1S/C23H31FN4O8/c1-13(29)20(28-22(35)17(26-14(2)30)8-9-19(32)33)23(36)27-18(10-15-6-4-3-5-7-15)21(34)25-12-16(31)11-24/h3-7,13,17-18,20,29H,8-12H2,1-2H3,(H,25,34)(H,26,30)(H,27,36)(H,28,35)(H,32,33)/t13-,17+,18+,20+/m1/s1
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| InChIKey |
PMYPNFBIBCZGNI-SBFOQGNTSA-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