General Information of the Compound
| Compound ID |
CP0423900
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| Compound Name |
6-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-4H-1,4-benzoxazin-3-one
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| Structure |
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| Formula |
C20H25N5O2S
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| Molecular Weight |
399.52
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| Canonical SMILES |
O=C1COc2ccc(cc2N1)-c1nnc(s1)N1CCC(CC1)N1CCCCC1
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| InChI |
InChI=1S/C20H25N5O2S/c26-18-13-27-17-5-4-14(12-16(17)21-18)19-22-23-20(28-19)25-10-6-15(7-11-25)24-8-2-1-3-9-24/h4-5,12,15H,1-3,6-11,13H2,(H,21,26)
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| InChIKey |
ARKLWSACFFZBIQ-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