General Information of the Compound
| Compound ID |
CP0301819
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| Compound Name |
2-(4-(6-(benzo[b]thiophen-2-yl)pyrimidin-4-yl)piperazin-1-yl)-1-(pyrrolidin-1-yl)ethanone
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| Structure |
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| Formula |
C22H25N5OS
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| Molecular Weight |
407.543
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| Canonical SMILES |
O=C(CN1CCN(CC1)c1cc(ncn1)-c1cc2ccccc2s1)N1CCCC1
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| InChI |
InChI=1S/C22H25N5OS/c28-22(27-7-3-4-8-27)15-25-9-11-26(12-10-25)21-14-18(23-16-24-21)20-13-17-5-1-2-6-19(17)29-20/h1-2,5-6,13-14,16H,3-4,7-12,15H2
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| InChIKey |
NDLZMZLRTHDNSQ-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