General Information of the Compound
| Compound ID |
CP0882544
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| Compound Name |
N-adamantan-2-yl-2-(3-{(R)-2-[(R)-2-hydroxy-2-(4-hydroxy-3-hydroxymethyl-phenyl)-ethylamino]-propyl}-phenyl)-acetamide
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| Structure |
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| Formula |
C30H40N2O4
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| Molecular Weight |
492.66
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| Canonical SMILES |
C[C@H](Cc1cccc(CC(=O)NC2C3CC4CC(C3)CC2C4)c1)NC[C@H](O)c1ccc(O)c(CO)c1
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| InChI |
InChI=1S/C30H40N2O4/c1-18(31-16-28(35)23-5-6-27(34)26(15-23)17-33)7-19-3-2-4-20(8-19)14-29(36)32-30-24-10-21-9-22(12-24)13-25(30)11-21/h2-6,8,15,18,21-22,24-25,28,30-31,33-35H,7,9-14,16-17H2,1H3,(H,32,36)/t18-,21?,22?,24?,25?,28+,30?/m1/s1
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| InChIKey |
WRLUQNUQKYKGQM-KJUBBHRMSA-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