General Information of the Compound
| Compound ID |
CP0329089
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| Compound Name |
(4-cyclobutylpiperazin-1-yl)(3-(piperidine-1-carbonyl)benzo[b]thiophen-5-yl)methanone
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| Structure |
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| Formula |
C23H29N3O2S
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| Molecular Weight |
411.571
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| Canonical SMILES |
O=C(N1CCCCC1)c1csc2ccc(cc12)C(=O)N1CCN(CC1)C1CCC1
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| InChI |
InChI=1S/C23H29N3O2S/c27-22(26-13-11-24(12-14-26)18-5-4-6-18)17-7-8-21-19(15-17)20(16-29-21)23(28)25-9-2-1-3-10-25/h7-8,15-16,18H,1-6,9-14H2
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| InChIKey |
XRYJTISFHQDRSM-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