General Information of the Compound
| Compound ID |
CP0441082
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| Compound Name |
2-amino-N-[(1S)-1-[1-[(2S)-1-cyano-3-(2-hydroxyphenoxy)propan-2-yl]tetrazol-5-yl]-2-phenylmethoxyethyl]-2-methylpropanamide
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| Structure |
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| Formula |
C24H29N7O4
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| Molecular Weight |
479.541
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| Canonical SMILES |
CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1[C@H](COc1ccccc1O)CC#N
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| InChI |
InChI=1S/C24H29N7O4/c1-24(2,26)23(33)27-19(16-34-14-17-8-4-3-5-9-17)22-28-29-30-31(22)18(12-13-25)15-35-21-11-7-6-10-20(21)32/h3-11,18-19,32H,12,14-16,26H2,1-2H3,(H,27,33)/t18-,19+/m0/s1
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| InChIKey |
SLPRBNYHIRCQPB-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