General Information of the Compound
| Compound ID |
CP0529652
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| Compound Name |
2-amino-N-[(1S)-1-[1-[4-(6-hydroxyhexylamino)-4-oxobutyl]tetrazol-5-yl]-2-phenylmethoxyethyl]-2-methylpropanamide
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| Structure |
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| Formula |
C24H39N7O4
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| Molecular Weight |
489.621
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| Canonical SMILES |
CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCCCCCCO
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| InChI |
InChI=1S/C24H39N7O4/c1-24(2,25)23(34)27-20(18-35-17-19-11-6-5-7-12-19)22-28-29-30-31(22)15-10-13-21(33)26-14-8-3-4-9-16-32/h5-7,11-12,20,32H,3-4,8-10,13-18,25H2,1-2H3,(H,26,33)(H,27,34)/t20-/m1/s1
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| InChIKey |
ZMPOVDIWAIRCEG-HXUWFJFHSA-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