General Information of the Compound
| Compound ID |
CP0508768
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| Compound Name |
(R)-2-(3-Phenoxy-benzoyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid [4-(acetyl-butyl-amino)-phenyl]-amide
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| Structure |
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| Formula |
C35H35N3O4
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| Molecular Weight |
561.682
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| Canonical SMILES |
CCCCN(C(C)=O)c1ccc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2cccc(Oc3ccccc3)c2)cc1
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| InChI |
InChI=1S/C35H35N3O4/c1-3-4-21-37(25(2)39)30-19-17-29(18-20-30)36-34(40)33-23-26-11-8-9-12-28(26)24-38(33)35(41)27-13-10-16-32(22-27)42-31-14-6-5-7-15-31/h5-20,22,33H,3-4,21,23-24H2,1-2H3,(H,36,40)/t33-/m1/s1
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| InChIKey |
LLGNKGUQNZRPBM-MGBGTMOVSA-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