General Information of the Compound
| Compound ID |
CP0540013
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| Compound Name |
tert-butyl N-[2-(4,7-dioxo-5-pyridin-3-yl-1H-indol-3-yl)ethyl]carbamate
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| Structure |
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| Formula |
C20H21N3O4
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| Molecular Weight |
367.405
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| Canonical SMILES |
CC(C)(C)OC(=O)NCCc1c[nH]c2c1C(=O)C(=CC2=O)c1cccnc1
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| InChI |
InChI=1S/C20H21N3O4/c1-20(2,3)27-19(26)22-8-6-13-11-23-17-15(24)9-14(18(25)16(13)17)12-5-4-7-21-10-12/h4-5,7,9-11,23H,6,8H2,1-3H3,(H,22,26)
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| InChIKey |
GDYNRRGPKLCYGJ-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