General Information of the Compound
| Compound ID |
CP0510690
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| Compound Name |
1-benzyl-N-[(2,6-dimethoxyphenyl)methyl]-5-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]indole-2-carboxamide
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| Structure |
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| Formula |
C37H41N3O6
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| Molecular Weight |
623.75
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| Canonical SMILES |
COc1cccc(OC)c1CNC(=O)c1cc2cc(C[C@@H](C)NC[C@H](O)c3ccc(O)c(CO)c3)ccc2n1Cc1ccccc1
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| InChI |
InChI=1S/C37H41N3O6/c1-24(38-21-34(43)27-13-15-33(42)29(18-27)23-41)16-26-12-14-31-28(17-26)19-32(40(31)22-25-8-5-4-6-9-25)37(44)39-20-30-35(45-2)10-7-11-36(30)46-3/h4-15,17-19,24,34,38,41-43H,16,20-23H2,1-3H3,(H,39,44)/t24-,34+/m1/s1
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| InChIKey |
NRNNWQIWZUUFQS-ZWVRTZEQSA-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