General Information of the Compound
| Compound ID |
CP0459846
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| Compound Name |
5-((R)-2-((R)-2-hydroxy-2-(4-hydroxy-3-(hydroxymethyl)phenyl)ethylamino)propyl)-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C27H30N4O4
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| Molecular Weight |
474.561
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| Canonical SMILES |
C[C@H](Cc1ccc2[nH]c(cc2c1)C(=O)NCc1ccccn1)NC[C@H](O)c1ccc(O)c(CO)c1
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| InChI |
InChI=1S/C27H30N4O4/c1-17(29-15-26(34)19-6-8-25(33)21(12-19)16-32)10-18-5-7-23-20(11-18)13-24(31-23)27(35)30-14-22-4-2-3-9-28-22/h2-9,11-13,17,26,29,31-34H,10,14-16H2,1H3,(H,30,35)/t17-,26+/m1/s1
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| InChIKey |
YMJBTQYGRSYEME-QUGAMOGWSA-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