General Information of the Compound
| Compound ID |
CP0301974
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| Compound Name |
(+/-)-6-fluoro-9-(3-(5-fluoro-1H-indol-3-yl)propylamino)-2,3,4,8,9,10-hexahydro-1H-pyrano[2,3-h]isoquinolin-1-one
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| Structure |
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| Formula |
C23H23F2N3O2
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| Molecular Weight |
411.452
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| Canonical SMILES |
Fc1ccc2[nH]cc(CCCNC3COc4c(F)cc5CCNC(=O)c5c4C3)c2c1
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| InChI |
InChI=1S/C23H23F2N3O2/c24-15-3-4-20-17(9-15)14(11-28-20)2-1-6-26-16-10-18-21-13(5-7-27-23(21)29)8-19(25)22(18)30-12-16/h3-4,8-9,11,16,26,28H,1-2,5-7,10,12H2,(H,27,29)
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| InChIKey |
NFJKAVIMGUBTOG-UHFFFAOYSA-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