General Information of the Compound
| Compound ID |
CP0459847
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| Compound Name |
5-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-N-[(4-hydroxyphenyl)methyl]-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C28H31N3O5
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| Molecular Weight |
489.572
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| Canonical SMILES |
C[C@H](Cc1ccc2[nH]c(cc2c1)C(=O)NCc1ccc(O)cc1)NC[C@H](O)c1ccc(O)c(CO)c1
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| InChI |
InChI=1S/C28H31N3O5/c1-17(29-15-27(35)20-5-9-26(34)22(12-20)16-32)10-19-4-8-24-21(11-19)13-25(31-24)28(36)30-14-18-2-6-23(33)7-3-18/h2-9,11-13,17,27,29,31-35H,10,14-16H2,1H3,(H,30,36)/t17-,27+/m1/s1
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| InChIKey |
LNMCOCHFZFNAPG-CRYYWNKWSA-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