General Information of the Compound
| Compound ID |
CP0459524
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| Compound Name |
1-(2,6-dimethyl-1H-indol-3-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
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| Structure |
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| Formula |
C21H23N3O3
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| Molecular Weight |
365.433
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| Canonical SMILES |
Cc1[nH]c2cc(C)ccc2c1C(=O)CN1CCN(CC1)C(=O)c1ccco1
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| InChI |
InChI=1S/C21H23N3O3/c1-14-5-6-16-17(12-14)22-15(2)20(16)18(25)13-23-7-9-24(10-8-23)21(26)19-4-3-11-27-19/h3-6,11-12,22H,7-10,13H2,1-2H3
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| InChIKey |
VMGUWRHRHRBXFE-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