General Information of the Compound
| Compound ID |
CP0135904
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| Compound Name |
(+/-)-9-(ethyl(3-(5-fluoro-1H-indol-3-yl)propyl)amino)-6-fluoro-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 |
C25H27F2N3O2
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| Molecular Weight |
439.506
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| Canonical SMILES |
CCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2c(F)cc3CCNC(=O)c3c2C1
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| InChI |
InChI=1S/C25H27F2N3O2/c1-2-30(9-3-4-16-13-29-22-6-5-17(26)11-19(16)22)18-12-20-23-15(7-8-28-25(23)31)10-21(27)24(20)32-14-18/h5-6,10-11,13,18,29H,2-4,7-9,12,14H2,1H3,(H,28,31)
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| InChIKey |
BNXCKNFYLODKCG-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