General Information of the Compound
| Compound ID |
CP0135906
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| Compound Name |
(+/-)-8-((cyclopropylmethyl)(4-(5-fluoro-1H-indol-3-yl)butyl)amino)-2,3,8,9-tetrahydropyrano[3,2-e]isoindol-1(7H)-one
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| Structure |
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| Formula |
C27H30FN3O2
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| Molecular Weight |
447.554
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| Canonical SMILES |
Fc1ccc2[nH]cc(CCCCN(CC3CC3)C3COc4ccc5CNC(=O)c5c4C3)c2c1
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| InChI |
InChI=1S/C27H30FN3O2/c28-20-7-8-24-22(11-20)18(13-29-24)3-1-2-10-31(15-17-4-5-17)21-12-23-25(33-16-21)9-6-19-14-30-27(32)26(19)23/h6-9,11,13,17,21,29H,1-5,10,12,14-16H2,(H,30,32)
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| InChIKey |
UTCHHJRKMDMXSK-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