General Information of the Compound
| Compound ID |
CP0291647
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| Compound Name |
2-{1-[2-(diethylamino)ethyl]piperidin-4-yl}-1H-1,3-benzodiazole-4-carboxamide
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| Structure |
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| Formula |
C19H29N5O
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| Molecular Weight |
343.475
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| Canonical SMILES |
CCN(CC)CCN1CCC(CC1)c1nc2cccc(C(N)=O)c2[nH]1
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| InChI |
InChI=1S/C19H29N5O/c1-3-23(4-2)12-13-24-10-8-14(9-11-24)19-21-16-7-5-6-15(18(20)25)17(16)22-19/h5-7,14H,3-4,8-13H2,1-2H3,(H2,20,25)(H,21,22)
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| InChIKey |
YFWKBYJZGLOJSM-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