General Information of the Compound
| Compound ID |
CP0511530
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| Compound Name |
3-[4-[5-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]tetrazol-1-yl]butanoylamino]propanoic acid
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| Structure |
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| Formula |
C21H31N7O5
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| Molecular Weight |
461.523
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| Canonical SMILES |
CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCCC(O)=O
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| InChI |
InChI=1S/C21H31N7O5/c1-21(2,22)20(32)24-16(14-33-13-15-7-4-3-5-8-15)19-25-26-27-28(19)12-6-9-17(29)23-11-10-18(30)31/h3-5,7-8,16H,6,9-14,22H2,1-2H3,(H,23,29)(H,24,32)(H,30,31)/t16-/m1/s1
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| InChIKey |
RNCWFARPSQBYIU-MRXNPFEDSA-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