General Information of the Compound
| Compound ID |
CP0562108
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| Compound Name |
(R)-1-((R)-1-Biphenyl-3-ylmethyl-pyrrolidin-2-yl)-2-(1,1-dimethyl-2-naphthalen-2-yl-ethylamino)-ethanol
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| Structure |
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| Formula |
C33H38N2O
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| Molecular Weight |
478.68
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| Canonical SMILES |
CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)[C@H]1CCCN1Cc1cccc(c1)-c1ccccc1
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| InChI |
InChI=1S/C33H38N2O/c1-33(2,22-25-17-18-28-13-6-7-14-29(28)20-25)34-23-32(36)31-16-9-19-35(31)24-26-10-8-15-30(21-26)27-11-4-3-5-12-27/h3-8,10-15,17-18,20-21,31-32,34,36H,9,16,19,22-24H2,1-2H3/t31-,32-/m1/s1
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| InChIKey |
HAVCLXMWRUTARG-ROJLCIKYSA-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