General Information of the Compound
| Compound ID |
CP0415493
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| Compound Name |
2-chloro-8-(trifluoromethyl)-6H-pyrimido[4,5-b][1,5]benzothiazepin-5-one
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| Structure |
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| Formula |
C12H5ClF3N3OS
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| Molecular Weight |
331.706
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| Canonical SMILES |
FC(F)(F)c1ccc2Sc3nc(Cl)ncc3C(=O)Nc2c1
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| InChI |
InChI=1S/C12H5ClF3N3OS/c13-11-17-4-6-9(20)18-7-3-5(12(14,15)16)1-2-8(7)21-10(6)19-11/h1-4H,(H,18,20)
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| InChIKey |
JTURLWVYGOCZPN-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