General Information of the Compound
| Compound ID |
CP0440913
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| Compound Name |
N-(1-adamantyl)-2-[3-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]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)NC23CC4CC(CC(C4)C2)C3)c1)NC[C@H](O)c1ccc(O)c(CO)c1
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| InChI |
InChI=1S/C30H40N2O4/c1-19(31-17-28(35)25-5-6-27(34)26(13-25)18-33)7-20-3-2-4-21(8-20)12-29(36)32-30-14-22-9-23(15-30)11-24(10-22)16-30/h2-6,8,13,19,22-24,28,31,33-35H,7,9-12,14-18H2,1H3,(H,32,36)/t19-,22?,23?,24?,28+,30?/m1/s1
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| InChIKey |
AKGAYMDCLUSCDA-QLYZNEQGSA-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