General Information of the Compound
| Compound ID |
CP0406967
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| Compound Name |
tert-butyl N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]pyrrolidin-3-yl]carbamate
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| Structure |
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| Formula |
C27H35FN4O3
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| Molecular Weight |
482.6
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| Canonical SMILES |
CC(C)(C)OC(=O)NC1CCN(CC(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)C1
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| InChI |
InChI=1S/C27H35FN4O3/c1-27(2,3)35-26(34)30-21-10-12-32(16-21)17-25(33)31-24-9-6-19-14-20(28)7-8-22(19)23(24)13-18-5-4-11-29-15-18/h4-5,7-8,11,14-15,21,23-24H,6,9-10,12-13,16-17H2,1-3H3,(H,30,34)(H,31,33)
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| InChIKey |
KRHQOBKALSRNJX-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