General Information of the Compound
| Compound ID |
CP0421774
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| Compound Name |
1-N-[(2S)-4-[2-(1-benzylpiperidin-4-yl)ethylamino]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-nitro-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
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| Structure |
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| Formula |
C38H49N5O6
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| Molecular Weight |
671.839
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| Canonical SMILES |
CCCN(CCC)C(=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)N[C@@H](Cc1ccccc1)C(O)C(=O)NCCC1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C38H49N5O6/c1-3-19-42(20-4-2)38(47)32-24-31(25-33(26-32)43(48)49)36(45)40-34(23-29-11-7-5-8-12-29)35(44)37(46)39-18-15-28-16-21-41(22-17-28)27-30-13-9-6-10-14-30/h5-14,24-26,28,34-35,44H,3-4,15-23,27H2,1-2H3,(H,39,46)(H,40,45)/t34-,35?/m0/s1
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| InChIKey |
ZOVXBMODXBZWHZ-SFCXHYMASA-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