General Information of the Compound
| Compound ID |
CP0509417
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| Compound Name |
3-N-[(2S)-4-[(1-benzylpiperidin-4-yl)methylamino]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-1-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
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| Structure |
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| Formula |
C41H49N5O6S
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| Molecular Weight |
739.939
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| Canonical SMILES |
C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)C(O)C(=O)NCC1CCN(Cc2ccccc2)CC1)N(C)S(C)(=O)=O)c1ccccc1
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| InChI |
InChI=1S/C41H49N5O6S/c1-29(33-17-11-6-12-18-33)43-39(48)34-24-35(26-36(25-34)45(2)53(3,51)52)40(49)44-37(23-30-13-7-4-8-14-30)38(47)41(50)42-27-31-19-21-46(22-20-31)28-32-15-9-5-10-16-32/h4-18,24-26,29,31,37-38,47H,19-23,27-28H2,1-3H3,(H,42,50)(H,43,48)(H,44,49)/t29-,37+,38?/m1/s1
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| InChIKey |
LRSVPGZOJKOJCB-BDFDYLDISA-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