General Information of the Compound
| Compound ID |
CP0542163
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| Compound Name |
(2S)-2-[[(2R)-4-methyl-2-[[(2S)-2-[[(2R)-4-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]pentanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]pentanoyl]amino]-3-phenylpropanoic acid
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| Structure |
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| Formula |
C46H70N6O10
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| Molecular Weight |
867.098
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| Canonical SMILES |
CC(C)C[C@@H](NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
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| InChI |
InChI=1S/C46H70N6O10/c1-29(2)25-34(50-41(56)36(27-31-19-13-11-14-20-31)52-44(60)62-46(8,9)10)39(54)48-33(23-17-18-24-47-43(59)61-45(5,6)7)38(53)49-35(26-30(3)4)40(55)51-37(42(57)58)28-32-21-15-12-16-22-32/h11-16,19-22,29-30,33-37H,17-18,23-28H2,1-10H3,(H,47,59)(H,48,54)(H,49,53)(H,50,56)(H,51,55)(H,52,60)(H,57,58)/t33-,34+,35+,36-,37-/m0/s1
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| InChIKey |
JXJONZVFJSZVJZ-OSWUWPNASA-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