General Information of the Compound
| Compound ID |
CP0461838
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| Compound Name |
2-Dipropylaminomethyl-isoindole-1,3-dione
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| Structure |
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| Formula |
C15H20N2O2
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| Molecular Weight |
260.337
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| Canonical SMILES |
CCCN(CCC)CN1C(=O)c2ccccc2C1=O
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| InChI |
InChI=1S/C15H20N2O2/c1-3-9-16(10-4-2)11-17-14(18)12-7-5-6-8-13(12)15(17)19/h5-8H,3-4,9-11H2,1-2H3
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| InChIKey |
MQRWFRAFKLPMBJ-UHFFFAOYSA-N
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| CAS |
66399-06-2
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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