General Information of the Compound
| Compound ID |
CP0440582
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| Compound Name |
2-amino-N-[(1S)-1-[1-[4-[2-[3-(2-hydroxyethylsulfonyl)phenyl]ethylamino]-4-oxobutyl]tetrazol-5-yl]-2-phenylmethoxyethyl]-2-methylpropanamide
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| Structure |
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| Formula |
C28H39N7O6S
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| Molecular Weight |
601.73
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| Canonical SMILES |
CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCCc1cccc(c1)S(=O)(=O)CCO
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| InChI |
InChI=1S/C28H39N7O6S/c1-28(2,29)27(38)31-24(20-41-19-22-8-4-3-5-9-22)26-32-33-34-35(26)15-7-12-25(37)30-14-13-21-10-6-11-23(18-21)42(39,40)17-16-36/h3-6,8-11,18,24,36H,7,12-17,19-20,29H2,1-2H3,(H,30,37)(H,31,38)/t24-/m1/s1
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| InChIKey |
GTKJOMSMQWFHHR-XMMPIXPASA-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