General Information of the Compound
| Compound ID |
CP0145444
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| Compound Name |
(S)-2-amino-N-(2-(benzyloxy)-1-(1-(3-(2-(N-methylmethan-4-ylsulfonamido)phenyl)propyl)-1H-tetrazol-5-yl)ethyl)-2-methylpropanamide
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| Structure |
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| Formula |
C25H35N7O4S
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| Molecular Weight |
529.667
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| Canonical SMILES |
CN(c1ccccc1CCCn1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N)S(C)(=O)=O
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| InChI |
InChI=1S/C25H35N7O4S/c1-25(2,26)24(33)27-21(18-36-17-19-11-6-5-7-12-19)23-28-29-30-32(23)16-10-14-20-13-8-9-15-22(20)31(3)37(4,34)35/h5-9,11-13,15,21H,10,14,16-18,26H2,1-4H3,(H,27,33)/t21-/m1/s1
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| InChIKey |
BZBGSSLDPMKZOZ-OAQYLSRUSA-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