General Information of the Compound
| Compound ID |
CP0522257
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| Compound Name |
(R) N-(2-((1-(3,4-dimethoxyphenethyl)pyrrolidin-2-yl)methylcarbamoyl)phenyl)quinoline-3-carboxamide
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| Structure |
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| Formula |
C32H34N4O4
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| Molecular Weight |
538.648
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| Canonical SMILES |
COc1ccc(CCN2CCC[C@@H]2CNC(=O)c2ccccc2NC(=O)c2cnc3ccccc3c2)cc1OC
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| InChI |
InChI=1S/C32H34N4O4/c1-39-29-14-13-22(18-30(29)40-2)15-17-36-16-7-9-25(36)21-34-32(38)26-10-4-6-12-28(26)35-31(37)24-19-23-8-3-5-11-27(23)33-20-24/h3-6,8,10-14,18-20,25H,7,9,15-17,21H2,1-2H3,(H,34,38)(H,35,37)/t25-/m1/s1
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| InChIKey |
MRHYRUNEBSENJS-RUZDIDTESA-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