General Information of the Compound
| Compound ID |
CP0959745
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| Compound Name |
4-Ethyl-2-(4-nonanoylpiperazine-1-carbonyl)-2H-benzo[b][1,4]thiazin-3(4H)-one
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| Structure |
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| Formula |
C24H35N3O3S
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| Molecular Weight |
445.629
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| Canonical SMILES |
CCCCCCCCC(=O)N1CCN(C(=O)C2Sc3ccccc3N(CC)C2=O)CC1
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| InChI |
InChI=1S/C24H35N3O3S/c1-3-5-6-7-8-9-14-21(28)25-15-17-26(18-16-25)23(29)22-24(30)27(4-2)19-12-10-11-13-20(19)31-22/h10-13,22H,3-9,14-18H2,1-2H3
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| InChIKey |
PYEGNSPAYROXPN-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