General Information of the Compound
| Compound ID |
CP0091694
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| Compound Name |
BAY 59-7939 Analog 10
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| Structure |
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| Formula |
C19H20ClFN4O3S
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| Molecular Weight |
438.912
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| Canonical SMILES |
Fc1cc(ccc1N1CCNCC1)N1C[C@H](CNC(=O)c2ccc(Cl)s2)OC1=O
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| InChI |
InChI=1S/C19H20ClFN4O3S/c20-17-4-3-16(29-17)18(26)23-10-13-11-25(19(27)28-13)12-1-2-15(14(21)9-12)24-7-5-22-6-8-24/h1-4,9,13,22H,5-8,10-11H2,(H,23,26)/t13-/m0/s1
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| InChIKey |
RCVMZVZBCGIKNQ-ZDUSSCGKSA-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