General Information of the Compound
| Compound ID |
CP0915849
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| Compound Name |
2-{5-[(3,4-Dihydro-2H-chromen-2-ylmethyl)amino]pentyl}-tetrahydro-1H-pyrrolo[1,2-c]imidazole-1,3(2H)-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)N1CCCCCNCC1CCc2ccccc2O1
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| InChI |
InChI=1S/C21H29N3O3.ClH/c25-20-18-8-6-14-23(18)21(26)24(20)13-5-1-4-12-22-15-17-11-10-16-7-2-3-9-19(16)27-17;/h2-3,7,9,17-18,22H,1,4-6,8,10-15H2;1H
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| InChIKey |
YMIWBGLSLDTUBW-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