General Information of the Compound
| Compound ID |
CP0483294
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| Compound Name |
(2R)-2-[[(2S)-2-[[(2S)-2-[[[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-[(4-hydroxyphenyl)methyl]carbamoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-phenylpropanamide
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| Structure |
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| Formula |
C40H47N11O7
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| Molecular Weight |
793.886
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| Canonical SMILES |
C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)N(Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(N)=O
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| InChI |
InChI=1S/C40H47N11O7/c1-23(35(42)53)46-38(56)33(16-25-8-4-3-5-9-25)49-39(57)34(17-27-19-44-32-11-7-6-10-30(27)32)48-36(54)24(2)47-40(58)51(21-26-12-14-29(52)15-13-26)50-37(55)31(41)18-28-20-43-22-45-28/h3-15,19-20,22-24,31,33-34,44,52H,16-18,21,41H2,1-2H3,(H2,42,53)(H,43,45)(H,46,56)(H,47,58)(H,48,54)(H,49,57)(H,50,55)/t23-,24-,31-,33+,34-/m0/s1
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| InChIKey |
OZAFXYOETBBYKW-HDSXGYDGSA-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