General Information of the Compound
| Compound ID |
CP0528881
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| Compound Name |
(1-ethylpyrazol-4-yl)-[3-(1-propan-2-ylindol-2-yl)piperidin-1-yl]methanone
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| Structure |
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| Formula |
C22H28N4O
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| Molecular Weight |
364.493
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| Canonical SMILES |
CCn1cc(cn1)C(=O)N1CCCC(C1)c1cc2ccccc2n1C(C)C
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| InChI |
InChI=1S/C22H28N4O/c1-4-25-15-19(13-23-25)22(27)24-11-7-9-18(14-24)21-12-17-8-5-6-10-20(17)26(21)16(2)3/h5-6,8,10,12-13,15-16,18H,4,7,9,11,14H2,1-3H3
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| InChIKey |
BFJXCJBBYLHASN-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