General Information of the Compound
| Compound ID |
CP0403132
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| Compound Name |
(S)-2-(3,4-Dichloro-benzoyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid (4-pentyl-phenyl)-amide
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| Structure |
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| Formula |
C28H28Cl2N2O2
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| Molecular Weight |
495.45
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| Canonical SMILES |
CCCCCc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccc(Cl)c(Cl)c2)cc1
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| InChI |
InChI=1S/C28H28Cl2N2O2/c1-2-3-4-7-19-10-13-23(14-11-19)31-27(33)26-17-20-8-5-6-9-22(20)18-32(26)28(34)21-12-15-24(29)25(30)16-21/h5-6,8-16,26H,2-4,7,17-18H2,1H3,(H,31,33)/t26-/m0/s1
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| InChIKey |
ATGLVPQZUMDCFN-SANMLTNESA-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