General Information of the Compound
| Compound ID |
CP0392944
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| Compound Name |
2-amino-N-[(1S)-1-[1-[(2S)-1-cyano-3-pyridin-2-yloxypropan-2-yl]tetrazol-5-yl]-2-phenylmethoxyethyl]-2-methylpropanamide
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| Structure |
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| Formula |
C23H28N8O3
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| Molecular Weight |
464.53
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| Canonical SMILES |
CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1[C@H](COc1ccccn1)CC#N
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| InChI |
InChI=1S/C23H28N8O3/c1-23(2,25)22(32)27-19(16-33-14-17-8-4-3-5-9-17)21-28-29-30-31(21)18(11-12-24)15-34-20-10-6-7-13-26-20/h3-10,13,18-19H,11,14-16,25H2,1-2H3,(H,27,32)/t18-,19+/m0/s1
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| InChIKey |
UPJVOWNSAUCCBH-RBUKOAKNSA-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