General Information of the Compound
| Compound ID |
CP0127535
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| Compound Name |
2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-6-[4-(pyrrolidine-1-carbonyl)phenyl]-3,4-dihydroisoquinolin-1-one
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| Structure |
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| Formula |
C27H33N3O2
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| Molecular Weight |
431.58
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| Canonical SMILES |
C[C@@H]1CCCN1CCN1CCc2cc(ccc2C1=O)-c1ccc(cc1)C(=O)N1CCCC1
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| InChI |
InChI=1S/C27H33N3O2/c1-20-5-4-15-28(20)17-18-30-16-12-24-19-23(10-11-25(24)27(30)32)21-6-8-22(9-7-21)26(31)29-13-2-3-14-29/h6-11,19-20H,2-5,12-18H2,1H3/t20-/m1/s1
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| InChIKey |
SPKOQCHHYOCMGR-HXUWFJFHSA-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