General Information of the Compound
| Compound ID |
CP0402038
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| Compound Name |
3-[(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-(3-morpholin-4-yl-propyl)-amino]-propionitrile
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| Structure |
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| Formula |
C19H24N4O3
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| Molecular Weight |
356.426
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| Canonical SMILES |
O=C1N(CN(CCCN2CCOCC2)CCC#N)C(=O)c2ccccc12
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| InChI |
InChI=1S/C19H24N4O3/c20-7-3-8-22(10-4-9-21-11-13-26-14-12-21)15-23-18(24)16-5-1-2-6-17(16)19(23)25/h1-2,5-6H,3-4,8-15H2
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| InChIKey |
YWAYIZIRYOLBEC-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