General Information of the Compound
| Compound ID |
CP0562483
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| Compound Name |
3-[(1S,2R)-2-[ethyl(propyl)amino]-1-[[(2R)-3-hydroxy-2-methylpropyl]-(2-methoxyethyl)amino]-2-pyridin-2-ylethyl]benzonitrile
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| Structure |
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| Formula |
C26H38N4O2
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| Molecular Weight |
438.616
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| Canonical SMILES |
CCCN(CC)[C@H]([C@@H](N(CCOC)C[C@@H](C)CO)c1cccc(c1)C#N)c1ccccn1
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| InChI |
InChI=1S/C26H38N4O2/c1-5-14-29(6-2)26(24-12-7-8-13-28-24)25(23-11-9-10-22(17-23)18-27)30(15-16-32-4)19-21(3)20-31/h7-13,17,21,25-26,31H,5-6,14-16,19-20H2,1-4H3/t21-,25+,26+/m1/s1
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| InChIKey |
FZHKDCSMPKURMT-NYMACZPPSA-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