General Information of the Compound
| Compound ID |
CP0958469
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| Compound Name |
2-((S)-2-amino-3-(1H-imidazol-5-yl)propanoyl)-1-(biphenyl-4-ylmethyl)-N-((S)-1-((S)-1-((R)-1-((S)-1,6-diamino-1-oxohexan-2-ylamino)-1-oxo-3-phenylpropan-2-ylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-ylamino)-1-oxopropan-2-yl)hydrazinecarboxamide
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| Structure |
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| Formula |
C49H58N12O6
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| Molecular Weight |
911.081
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| Canonical SMILES |
C[C@H](NC(=O)N(Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O
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| InChI |
InChI=1S/C49H58N12O6/c1-31(56-49(67)61(60-46(64)39(51)26-37-28-53-30-55-37)29-33-19-21-35(22-20-33)34-14-6-3-7-15-34)45(63)58-43(25-36-27-54-40-17-9-8-16-38(36)40)48(66)59-42(24-32-12-4-2-5-13-32)47(65)57-41(44(52)62)18-10-11-23-50/h2-9,12-17,19-22,27-28,30-31,39,41-43,54H,10-11,18,23-26,29,50-51H2,1H3,(H2,52,62)(H,53,55)(H,56,67)(H,57,65)(H,58,63)(H,59,66)(H,60,64)/t31-,39-,41-,42+,43-/m0/s1
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| InChIKey |
KWPIUUZKSFAMEN-WTDIWOMPSA-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