General Information of the Compound
| Compound ID |
CP0572022
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| Compound Name |
3-[2-(propan-2-ylamino)ethyl]-5-pyridin-3-yl-1H-indole-4,7-dione
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| Structure |
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| Formula |
C18H19N3O2
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| Molecular Weight |
309.369
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| Canonical SMILES |
CC(C)NCCc1c[nH]c2c1C(=O)C(=CC2=O)c1cccnc1
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| InChI |
InChI=1S/C18H19N3O2/c1-11(2)20-7-5-13-10-21-17-15(22)8-14(18(23)16(13)17)12-4-3-6-19-9-12/h3-4,6,8-11,20-21H,5,7H2,1-2H3
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| InChIKey |
ZKAUYXGXHUMEJM-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