General Information of the Compound
| Compound ID |
CP0144504
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| Compound Name |
5-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-N-[(2-methoxyphenyl)methyl]-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C29H33N3O5
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| Molecular Weight |
503.599
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| Canonical SMILES |
COc1ccccc1CNC(=O)c1cc2cc(C[C@@H](C)NC[C@H](O)c3ccc(O)c(CO)c3)ccc2[nH]1
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| InChI |
InChI=1S/C29H33N3O5/c1-18(30-16-27(35)20-8-10-26(34)23(13-20)17-33)11-19-7-9-24-22(12-19)14-25(32-24)29(36)31-15-21-5-3-4-6-28(21)37-2/h3-10,12-14,18,27,30,32-35H,11,15-17H2,1-2H3,(H,31,36)/t18-,27+/m1/s1
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| InChIKey |
JIIXGDGLWIDEHT-CLYVBNDRSA-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