General Information of the Compound
| Compound ID |
CP0461178
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| Compound Name |
N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide
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| Structure |
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| Formula |
C31H35FN4O2
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| Molecular Weight |
514.645
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| Canonical SMILES |
Fc1ccc2C(Cc3cccnc3)C(CCc2c1)NC(=O)CN1CCC(CC1)NC(=O)Cc1ccccc1
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| InChI |
InChI=1S/C31H35FN4O2/c32-25-9-10-27-24(19-25)8-11-29(28(27)17-23-7-4-14-33-20-23)35-31(38)21-36-15-12-26(13-16-36)34-30(37)18-22-5-2-1-3-6-22/h1-7,9-10,14,19-20,26,28-29H,8,11-13,15-18,21H2,(H,34,37)(H,35,38)
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| InChIKey |
DTAPRSFCLCFHMP-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