General Information of the Compound
| Compound ID |
CP0486762
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| Compound Name |
(2S)-2-[[(2S)-2-[[2-[(2S)-2-amino-3-[4-(2-naphthalen-1-ylethylcarbamoyl)phenyl]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
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| Structure |
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| Formula |
C50H49N5O6
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| Molecular Weight |
815.971
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| Canonical SMILES |
N[C@@H](Cc1ccc(cc1)C(=O)NCCc1cccc2ccccc12)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
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| InChI |
InChI=1S/C50H49N5O6/c51-42(28-35-22-24-38(25-23-35)46(56)52-27-26-37-20-11-19-36-16-9-10-21-41(36)37)49(59)55-32-40-18-8-7-17-39(40)31-45(55)48(58)53-43(29-33-12-3-1-4-13-33)47(57)54-44(50(60)61)30-34-14-5-2-6-15-34/h1-25,42-45H,26-32,51H2,(H,52,56)(H,53,58)(H,54,57)(H,60,61)/t42-,43-,44-,45?/m0/s1
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| InChIKey |
DGMKSIGFUTVKOI-FFBMCEGESA-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