General Information of the Compound
| Compound ID |
CP0294483
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| Compound Name |
[4-(6-amino-5-phenylmethoxypyridin-3-yl)phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
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| Structure |
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| Formula |
C28H32N4O2
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| Molecular Weight |
456.59
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| Canonical SMILES |
Nc1ncc(cc1OCc1ccccc1)-c1ccc(cc1)C(=O)N1CCC[C@@H]1CN1CCCC1
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| InChI |
InChI=1S/C28H32N4O2/c29-27-26(34-20-21-7-2-1-3-8-21)17-24(18-30-27)22-10-12-23(13-11-22)28(33)32-16-6-9-25(32)19-31-14-4-5-15-31/h1-3,7-8,10-13,17-18,25H,4-6,9,14-16,19-20H2,(H2,29,30)/t25-/m1/s1
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| InChIKey |
GATRKIHNNXZEBD-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