General Information of the Compound
| Compound ID |
CP0496429
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| Compound Name |
tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S,3S,5R)-6-[[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
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| Structure |
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| Formula |
C40H61N5O7S
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| Molecular Weight |
756.023
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| Canonical SMILES |
CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1
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| InChI |
InChI=1S/C40H61N5O7S/c1-25(2)33(37(49)41-24-29-18-14-11-15-19-29)44-35(47)27(5)22-32(46)31(23-28-16-12-10-13-17-28)43-36(48)30(20-21-53-9)42-38(50)34(26(3)4)45-39(51)52-40(6,7)8/h10-19,25-27,30-34,46H,20-24H2,1-9H3,(H,41,49)(H,42,50)(H,43,48)(H,44,47)(H,45,51)/t27-,30+,31+,32+,33+,34+/m1/s1
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| InChIKey |
ARHPARISSZVWOE-GVEPQBHGSA-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