General Information of the Compound
| Compound ID |
CP0259506
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| Compound Name |
2-[2-ethyl-1-(propan-2-yl)pyrrolidin-2-yl]-1H-1,3-benzodiazole-4-carboxamide
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| Structure |
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| Formula |
C17H24N4O
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| Molecular Weight |
300.406
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| Canonical SMILES |
CCC1(CCCN1C(C)C)c1nc2cccc(C(N)=O)c2[nH]1
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| InChI |
InChI=1S/C17H24N4O/c1-4-17(9-6-10-21(17)11(2)3)16-19-13-8-5-7-12(15(18)22)14(13)20-16/h5,7-8,11H,4,6,9-10H2,1-3H3,(H2,18,22)(H,19,20)
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| InChIKey |
XHKSZQPKWNRLCP-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