General Information of the Compound
| Compound ID |
CP0381332
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| Compound Name |
1-(4-Fluoro-phenyl)-4-(3,4,6,7,8,12c-hexahydro-1H-pyrazino[1',2':1,2]pyrido[4,3-b]indol-2-yl)-butan-1-ol
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| Structure |
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| Formula |
C24H28FN3O
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| Molecular Weight |
393.506
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| Canonical SMILES |
OC(CCCN1CCN2CCc3[nH]c4ccccc4c3C2C1)c1ccc(F)cc1
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| InChI |
InChI=1S/C24H28FN3O/c25-18-9-7-17(8-10-18)23(29)6-3-12-27-14-15-28-13-11-21-24(22(28)16-27)19-4-1-2-5-20(19)26-21/h1-2,4-5,7-10,22-23,26,29H,3,6,11-16H2
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| InChIKey |
GGLXFWQANMJCNR-UHFFFAOYSA-N
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| CAS |
73187-29-8
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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