General Information of the Compound
| Compound ID |
CP0485250
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| Compound Name |
N-[(2,6-dimethoxyphenyl)methyl]-1-ethyl-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 |
C32H39N3O6
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| Molecular Weight |
561.679
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| Canonical SMILES |
CCn1c(cc2cc(C[C@@H](C)NC[C@H](O)c3ccc(O)c(CO)c3)ccc12)C(=O)NCc1c(OC)cccc1OC
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| InChI |
InChI=1S/C32H39N3O6/c1-5-35-26-11-9-21(13-20(2)33-18-29(38)22-10-12-28(37)24(15-22)19-36)14-23(26)16-27(35)32(39)34-17-25-30(40-3)7-6-8-31(25)41-4/h6-12,14-16,20,29,33,36-38H,5,13,17-19H2,1-4H3,(H,34,39)/t20-,29+/m1/s1
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| InChIKey |
CTJWUZYCDWDADT-OLILMLBXSA-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