General Information of the Compound
| Compound ID |
CP0099158
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| Compound Name |
6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-fluoroisoquinoline
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| Structure |
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| Formula |
C25H21FN4O
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| Molecular Weight |
412.468
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| Canonical SMILES |
N[C@H](COc1cncc(c1)-c1ccc2cnc(F)cc2c1)Cc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C25H21FN4O/c26-25-10-18-7-16(5-6-17(18)12-30-25)19-9-22(14-28-11-19)31-15-21(27)8-20-13-29-24-4-2-1-3-23(20)24/h1-7,9-14,21,29H,8,15,27H2/t21-/m0/s1
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| InChIKey |
PQHAJHBMGVFBAP-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