General Information of the Compound
| Compound ID |
CP0055905
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| Compound Name |
BAY 59-7939 Analog 14
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| Structure |
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| Formula |
C19H19ClN4O5S
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| Molecular Weight |
450.904
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| Canonical SMILES |
Nc1cc(ccc1N1CCOCC1=O)N1C[C@H](CNC(=O)c2ccc(Cl)s2)OC1=O
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| InChI |
InChI=1S/C19H19ClN4O5S/c20-16-4-3-15(30-16)18(26)22-8-12-9-24(19(27)29-12)11-1-2-14(13(21)7-11)23-5-6-28-10-17(23)25/h1-4,7,12H,5-6,8-10,21H2,(H,22,26)/t12-/m0/s1
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| InChIKey |
INLXEGDYWOAZAA-LBPRGKRZSA-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