General Information of the Compound
| Compound ID |
CP0493300
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| Compound Name |
1-N-[(2S)-4-[(1-benzylpiperidin-4-yl)methylamino]-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 |
C37H47N5O6
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| Molecular Weight |
657.812
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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)NCC1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C37H47N5O6/c1-3-17-41(18-4-2)37(46)31-22-30(23-32(24-31)42(47)48)35(44)39-33(21-27-11-7-5-8-12-27)34(43)36(45)38-25-28-15-19-40(20-16-28)26-29-13-9-6-10-14-29/h5-14,22-24,28,33-34,43H,3-4,15-21,25-26H2,1-2H3,(H,38,45)(H,39,44)/t33-,34?/m0/s1
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| InChIKey |
XCNHAIOHLRKIMV-CDRRMRQFSA-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