General Information of the Compound
| Compound ID |
CP0345078
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| Compound Name |
(+/-)-N-(3-(5-fluoro-1H-indol-3-yl)propyl)-N-(1-oxo-2,3,4,8,9,10-hexahydro-1H-pyrano[2,3-h]isoquinolin-9-yl)benzamide
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| Structure |
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| Formula |
C30H28FN3O3
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| Molecular Weight |
497.57
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| Canonical SMILES |
Fc1ccc2[nH]cc(CCCN(C3COc4ccc5CCNC(=O)c5c4C3)C(=O)c3ccccc3)c2c1
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| InChI |
InChI=1S/C30H28FN3O3/c31-22-9-10-26-24(15-22)21(17-33-26)7-4-14-34(30(36)20-5-2-1-3-6-20)23-16-25-27(37-18-23)11-8-19-12-13-32-29(35)28(19)25/h1-3,5-6,8-11,15,17,23,33H,4,7,12-14,16,18H2,(H,32,35)
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| InChIKey |
ZLNFUFOORAFJJW-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