General Information of the Compound
| Compound ID |
CP0569011
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| Compound Name |
(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-3-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid
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| Structure |
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| Formula |
C44H58ClN5O8
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| Molecular Weight |
820.428
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| Canonical SMILES |
CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
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| InChI |
InChI=1S/C44H58ClN5O8/c1-27(2)22-33(47-41(54)36(50-43(57)58-44(5,6)7)25-31-18-20-32(45)21-19-31)38(51)48-35(24-29-14-10-8-11-15-29)40(53)46-34(23-28(3)4)39(52)49-37(42(55)56)26-30-16-12-9-13-17-30/h8-21,27-28,33-37H,22-26H2,1-7H3,(H,46,53)(H,47,54)(H,48,51)(H,49,52)(H,50,57)(H,55,56)/t33-,34-,35+,36+,37+/m1/s1
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| InChIKey |
ADNHGJNYRGURLT-DWCHZDDLSA-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