General Information of the Compound
| Compound ID |
CP0516502
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| Compound Name |
2-amino-N-[(1S)-1-[1-[(2R)-1-cyano-3-phenoxypropan-2-yl]tetrazol-5-yl]-2-phenylmethoxyethyl]-2-methylpropanamide
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| Structure |
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| Formula |
C24H29N7O3
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| Molecular Weight |
463.542
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| Canonical SMILES |
CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1[C@@H](COc1ccccc1)CC#N
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| InChI |
InChI=1S/C24H29N7O3/c1-24(2,26)23(32)27-21(17-33-15-18-9-5-3-6-10-18)22-28-29-30-31(22)19(13-14-25)16-34-20-11-7-4-8-12-20/h3-12,19,21H,13,15-17,26H2,1-2H3,(H,27,32)/t19-,21-/m1/s1
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| InChIKey |
PKAHVQVVTFCKDQ-TZIWHRDSSA-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