General Information of the Compound
| Compound ID |
CP0463512
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| Compound Name |
(2S)-6-amino-2-[[(2R)-2-[[[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]propanoyl]amino]-benzylcarbamoyl]amino]-3-phenylpropanoyl]amino]hexanamide
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| Structure |
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| Formula |
C35H49N11O6
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| Molecular Weight |
719.848
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| Canonical SMILES |
C[C@@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)NN(Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O
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| InChI |
InChI=1S/C35H49N11O6/c1-22(42-33(50)27(37)18-26-19-39-21-40-26)31(48)41-23(2)32(49)45-46(20-25-13-7-4-8-14-25)35(52)44-29(17-24-11-5-3-6-12-24)34(51)43-28(30(38)47)15-9-10-16-36/h3-8,11-14,19,21-23,27-29H,9-10,15-18,20,36-37H2,1-2H3,(H2,38,47)(H,39,40)(H,41,48)(H,42,50)(H,43,51)(H,44,52)(H,45,49)/t22-,23+,27+,28+,29-/m1/s1
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| InChIKey |
FMGHKOGJNJIMBB-YOENNBKZSA-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