General Information of the Compound
| Compound ID |
CP0374661
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| Compound Name |
((S)-1-{(1S,2S)-1-Benzyl-3-[N-biphenyl-4-ylmethyl-N'-((S)-2-methoxycarbonylamino-3-methyl-butyryl)-hydrazino]-2-hydroxy-propylcarbamoyl}-2,2-dimethyl-propyl)-carbamic acid methyl ester
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| Structure |
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| Formula |
C38H51N5O7
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| Molecular Weight |
689.854
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| Canonical SMILES |
COC(=O)N[C@@H](C(C)C)C(=O)NN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C38H51N5O7/c1-25(2)32(40-36(47)49-6)34(45)42-43(23-27-18-20-29(21-19-27)28-16-12-9-13-17-28)24-31(44)30(22-26-14-10-8-11-15-26)39-35(46)33(38(3,4)5)41-37(48)50-7/h8-21,25,30-33,44H,22-24H2,1-7H3,(H,39,46)(H,40,47)(H,41,48)(H,42,45)/t30-,31-,32-,33+/m0/s1
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| InChIKey |
DXYWQVONJOEGHT-ZWDYZTTJSA-N
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| CAS |
191594-61-3
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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
Protein ID: PT00004, Pol polyprotein
Protein ID: PT00005, Reverse transcriptase/RNaseH