General Information of the Compound
| Compound ID |
CP0526046
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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]-3-(1H-indol-3-yl)propanoyl]amino]carbamoylamino]propanoyl]amino]-3-phenylpropanoyl]amino]hexanamide
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| Structure |
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| Formula |
C36H48N12O6
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| Molecular Weight |
744.858
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| Canonical SMILES |
C[C@H](NC(=O)NNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O
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| InChI |
InChI=1S/C36H48N12O6/c1-21(32(50)45-29(15-22-9-3-2-4-10-22)34(52)44-28(31(39)49)13-7-8-14-37)43-36(54)48-47-35(53)30(16-23-18-41-27-12-6-5-11-25(23)27)46-33(51)26(38)17-24-19-40-20-42-24/h2-6,9-12,18-21,26,28-30,41H,7-8,13-17,37-38H2,1H3,(H2,39,49)(H,40,42)(H,44,52)(H,45,50)(H,46,51)(H,47,53)(H2,43,48,54)/t21-,26-,28-,29+,30+/m0/s1
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| InChIKey |
UEHJLEBYVXLFEL-ZBRHZRBFSA-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