General Information of the Compound
| Compound ID |
CP0436417
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| Compound Name |
2-amino-N-[(1S)-1-[1-[4-[2-(3-hydroxyphenyl)ethyl-methylamino]-4-oxobutyl]tetrazol-5-yl]-2-phenylmethoxyethyl]-2-methylpropanamide
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| Structure |
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| Formula |
C27H37N7O4
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| Molecular Weight |
523.638
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| Canonical SMILES |
CN(CCc1cccc(O)c1)C(=O)CCCn1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N
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| InChI |
InChI=1S/C27H37N7O4/c1-27(2,28)26(37)29-23(19-38-18-21-9-5-4-6-10-21)25-30-31-32-34(25)15-8-13-24(36)33(3)16-14-20-11-7-12-22(35)17-20/h4-7,9-12,17,23,35H,8,13-16,18-19,28H2,1-3H3,(H,29,37)/t23-/m1/s1
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| InChIKey |
MFUYJSLHEVIPMZ-HSZRJFAPSA-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