General Information of the Compound
| Compound ID |
CP0485397
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| Compound Name |
2-amino-N-[(1S)-1-[1-[4-[2-[3-(2-hydroxyethylsulfonyl)phenyl]ethyl-methylamino]-4-oxobutyl]tetrazol-5-yl]-2-phenylmethoxyethyl]-2-methylpropanamide
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| Structure |
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| Formula |
C29H41N7O6S
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| Molecular Weight |
615.757
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| Canonical SMILES |
CN(CCc1cccc(c1)S(=O)(=O)CCO)C(=O)CCCn1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N
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| InChI |
InChI=1S/C29H41N7O6S/c1-29(2,30)28(39)31-25(21-42-20-23-9-5-4-6-10-23)27-32-33-34-36(27)15-8-13-26(38)35(3)16-14-22-11-7-12-24(19-22)43(40,41)18-17-37/h4-7,9-12,19,25,37H,8,13-18,20-21,30H2,1-3H3,(H,31,39)/t25-/m1/s1
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| InChIKey |
YXOJBJFFNKMVSU-RUZDIDTESA-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