General Information of the Compound
| Compound ID |
CP0497729
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| Compound Name |
2-{4-[2-(2-Acetylamino-3-methyl-butyrylamino)-4-methylsulfanyl-butyrylamino]-3-hydroxy-6-methyl-heptanoylamino}-3-methyl-butyric acid(Ac-Val-Met-Sta-Val-COOH)
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| Structure |
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| Formula |
C25H46N4O7S
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| Molecular Weight |
546.731
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| Canonical SMILES |
CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)NC(CC(C)C)C(O)CC(=O)N[C@@H](C(C)C)C(O)=O
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| InChI |
InChI=1S/C25H46N4O7S/c1-13(2)11-18(19(31)12-20(32)29-22(15(5)6)25(35)36)28-23(33)17(9-10-37-8)27-24(34)21(14(3)4)26-16(7)30/h13-15,17-19,21-22,31H,9-12H2,1-8H3,(H,26,30)(H,27,34)(H,28,33)(H,29,32)(H,35,36)/t17-,18?,19?,21-,22-/m0/s1
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| InChIKey |
ZNUTWYPCQLLNMQ-LYRWKLJTSA-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