General Information of the Compound
| Compound ID |
CP0427224
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| Compound Name |
3-N-[(2S)-4-[2-(1-benzylpiperidin-4-yl)ethylamino]-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 |
C42H51N5O6S
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| Molecular Weight |
753.966
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| Canonical SMILES |
C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)C(O)C(=O)NCCC1CCN(Cc2ccccc2)CC1)N(C)S(C)(=O)=O)c1ccccc1
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| InChI |
InChI=1S/C42H51N5O6S/c1-30(34-17-11-6-12-18-34)44-40(49)35-26-36(28-37(27-35)46(2)54(3,52)53)41(50)45-38(25-32-13-7-4-8-14-32)39(48)42(51)43-22-19-31-20-23-47(24-21-31)29-33-15-9-5-10-16-33/h4-18,26-28,30-31,38-39,48H,19-25,29H2,1-3H3,(H,43,51)(H,44,49)(H,45,50)/t30-,38+,39?/m1/s1
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| InChIKey |
NKECKRQJWGQLKX-GCLQNPRDSA-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