General Information of the Compound
| Compound ID |
CP0853528
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| Compound Name |
2-{4-[(3,4-Dihydro-2H-chromen-2-ylmethyl)amino]butyl}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione Hydrochloride
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| Structure |
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| Formula |
C21H30ClN3O3
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| Molecular Weight |
407.942
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| Canonical SMILES |
Cl.O=C1C2CCCN2C(=O)CN1CCCCNCC1CCc2ccccc2O1
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| InChI |
InChI=1S/C21H29N3O3.ClH/c25-20-15-23(21(26)18-7-5-13-24(18)20)12-4-3-11-22-14-17-10-9-16-6-1-2-8-19(16)27-17;/h1-2,6,8,17-18,22H,3-5,7,9-15H2;1H
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| InChIKey |
PFLWEIMILZRZID-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