General Information of the Compound
| Compound ID |
CP0436611
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| Compound Name |
2-amino-N-[(1S)-1-[1-[4-[2-(3-hydroxyphenyl)ethylamino]-4-oxobutyl]tetrazol-5-yl]-2-phenylmethoxyethyl]-2-methylpropanamide
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| Structure |
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| Formula |
C26H35N7O4
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| Molecular Weight |
509.611
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| Canonical SMILES |
CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCCc1cccc(O)c1
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| InChI |
InChI=1S/C26H35N7O4/c1-26(2,27)25(36)29-22(18-37-17-20-8-4-3-5-9-20)24-30-31-32-33(24)15-7-12-23(35)28-14-13-19-10-6-11-21(34)16-19/h3-6,8-11,16,22,34H,7,12-15,17-18,27H2,1-2H3,(H,28,35)(H,29,36)/t22-/m1/s1
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| InChIKey |
FCXLPELOSVAJAY-JOCHJYFZSA-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