General Information of the Compound
| Compound ID |
CP0308903
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| Compound Name |
(+/-)-9-((cyclopropylmethyl)(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 |
C27H29F2N3O2
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| Molecular Weight |
465.544
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| Canonical SMILES |
Fc1ccc2[nH]cc(CCCN(CC3CC3)C3COc4c(F)cc5CCNC(=O)c5c4C3)c2c1
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| InChI |
InChI=1S/C27H29F2N3O2/c28-19-5-6-24-21(11-19)18(13-31-24)2-1-9-32(14-16-3-4-16)20-12-22-25-17(7-8-30-27(25)33)10-23(29)26(22)34-15-20/h5-6,10-11,13,16,20,31H,1-4,7-9,12,14-15H2,(H,30,33)
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| InChIKey |
SBPGNMNSCJJZOE-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