General Information of the Compound
| Compound ID |
CP0436576
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| Compound Name |
(R)-1-((R)-1-(4-nitrobenzyl)pyrrolidin-2-yl)-2-(2-methyl-1-(naphthalen-2-yl)propan-2-ylamino)ethanol
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| Structure |
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| Formula |
C27H33N3O3
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| Molecular Weight |
447.579
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| Canonical SMILES |
CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)[C@H]1CCCN1Cc1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C27H33N3O3/c1-27(2,17-21-9-12-22-6-3-4-7-23(22)16-21)28-18-26(31)25-8-5-15-29(25)19-20-10-13-24(14-11-20)30(32)33/h3-4,6-7,9-14,16,25-26,28,31H,5,8,15,17-19H2,1-2H3/t25-,26-/m1/s1
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| InChIKey |
UHPZARWNKXYBIY-CLJLJLNGSA-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