General Information of the Compound
| Compound ID |
CP0497419
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| Compound Name |
2-(((R)-2-((R)-1-hydroxy-2-(2-methyl-1-(naphthalen-2-yl)propan-2-ylamino)ethyl)pyrrolidin-1-yl)methyl)-6-nitrophenol
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| Structure |
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| Formula |
C27H33N3O4
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| Molecular Weight |
463.578
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| Canonical SMILES |
CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)[C@H]1CCCN1Cc1cccc(c1O)[N+]([O-])=O
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| InChI |
InChI=1S/C27H33N3O4/c1-27(2,16-19-12-13-20-7-3-4-8-21(20)15-19)28-17-25(31)23-11-6-14-29(23)18-22-9-5-10-24(26(22)32)30(33)34/h3-5,7-10,12-13,15,23,25,28,31-32H,6,11,14,16-18H2,1-2H3/t23-,25-/m1/s1
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| InChIKey |
ZHKABAYFUSLWOS-ILBGXUMGSA-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