General Information of the Compound
| Compound ID |
CP0126232
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| Compound Name |
6-[4-[(2R)-2-methylpyrrolidine-1-carbonyl]phenyl]-2-(2-pyrrolidin-1-ylethyl)-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]1CCCN1C(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1
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| InChI |
InChI=1S/C27H33N3O2/c1-20-5-4-15-30(20)26(31)22-8-6-21(7-9-22)23-10-11-25-24(19-23)12-16-29(27(25)32)18-17-28-13-2-3-14-28/h6-11,19-20H,2-5,12-18H2,1H3/t20-/m1/s1
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| InChIKey |
QKNQLRSRULGFBA-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