General Information of the Compound
| Compound ID |
CP0415368
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| Compound Name |
1-[3-(1,3-dihydroisoindol-2-yl)propyl]-3-methylbenzimidazol-2-one
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| Structure |
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| Formula |
C19H21N3O
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| Molecular Weight |
307.397
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| Canonical SMILES |
Cn1c2ccccc2n(CCCN2Cc3ccccc3C2)c1=O
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| InChI |
InChI=1S/C19H21N3O/c1-20-17-9-4-5-10-18(17)22(19(20)23)12-6-11-21-13-15-7-2-3-8-16(15)14-21/h2-5,7-10H,6,11-14H2,1H3
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| InChIKey |
MVAHYEUFIIXWRQ-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