General Information of the Compound
| Compound ID |
CP0483643
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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]propanoyl]amino]pentanoyl]amino]-3-phenylpropanoyl]amino]pentanoyl]amino]-3-phenylpropanoic acid
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| Structure |
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| Formula |
C38H55N5O8
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| Molecular Weight |
709.885
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| Canonical SMILES |
CC(C)C[C@@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
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| InChI |
InChI=1S/C38H55N5O8/c1-23(2)19-28(40-32(44)25(5)39-37(50)51-38(6,7)8)33(45)42-30(21-26-15-11-9-12-16-26)35(47)41-29(20-24(3)4)34(46)43-31(36(48)49)22-27-17-13-10-14-18-27/h9-18,23-25,28-31H,19-22H2,1-8H3,(H,39,50)(H,40,44)(H,41,47)(H,42,45)(H,43,46)(H,48,49)/t25-,28+,29+,30-,31-/m0/s1
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| InChIKey |
MJBDSSQEKPWUKT-KAVNOODHSA-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