General Information of the Compound
| Compound ID |
CP0473012
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| Compound Name |
N-[2-[(1S,2R)-2-[(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)methyl]cyclopropyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
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| Structure |
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| Formula |
C24H25N5O
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| Molecular Weight |
399.498
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| Canonical SMILES |
O=C(NCC[C@@H]1C[C@H]1CN1CCc2ccc(cc2C1)C#N)c1cc2cccnc2[nH]1
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| InChI |
InChI=1S/C24H25N5O/c25-13-16-3-4-17-6-9-29(14-20(17)10-16)15-21-11-18(21)5-8-27-24(30)22-12-19-2-1-7-26-23(19)28-22/h1-4,7,10,12,18,21H,5-6,8-9,11,14-15H2,(H,26,28)(H,27,30)/t18-,21+/m1/s1
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| InChIKey |
ZXMQIPPBQZMPBZ-NQIIRXRSSA-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
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor