General Information of the Compound
| Compound ID |
CP0572807
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| Compound Name |
(2S)-N-isoquinolin-5-yl-2-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
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| Structure |
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| Formula |
C23H20N4OS
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| Molecular Weight |
400.507
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| Canonical SMILES |
O=C(Nc1cccc2cnccc12)N1CCC[C@H]1c1nc(cs1)-c1ccccc1
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| InChI |
InChI=1S/C23H20N4OS/c28-23(26-19-9-4-8-17-14-24-12-11-18(17)19)27-13-5-10-21(27)22-25-20(15-29-22)16-6-2-1-3-7-16/h1-4,6-9,11-12,14-15,21H,5,10,13H2,(H,26,28)/t21-/m0/s1
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| InChIKey |
XKTQOXSUQGKKLD-NRFANRHFSA-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