General Information of the Compound
| Compound ID |
CP0449076
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| Compound Name |
(R)-2-(3-Benzyl-benzoyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid (4-chloro-phenyl)-amide
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| Structure |
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| Formula |
C30H25ClN2O2
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| Molecular Weight |
480.995
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| Canonical SMILES |
Clc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2cccc(Cc3ccccc3)c2)cc1
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| InChI |
InChI=1S/C30H25ClN2O2/c31-26-13-15-27(16-14-26)32-29(34)28-19-23-10-4-5-11-25(23)20-33(28)30(35)24-12-6-9-22(18-24)17-21-7-2-1-3-8-21/h1-16,18,28H,17,19-20H2,(H,32,34)/t28-/m1/s1
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| InChIKey |
KMBDZRWVRPCOHI-MUUNZHRXSA-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