General Information of the Compound
| Compound ID |
CP0390245
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| Compound Name |
US8912224, 352
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| Structure |
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| Formula |
C24H24N4O4S
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| Molecular Weight |
464.547
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| Canonical SMILES |
O=C(NCCN1CCNC1=O)c1csc(Oc2ccc3O[C@@H](CCc3c2)c2ccccc2)n1
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| InChI |
InChI=1S/C24H24N4O4S/c29-22(25-10-12-28-13-11-26-23(28)30)19-15-33-24(27-19)31-18-7-9-21-17(14-18)6-8-20(32-21)16-4-2-1-3-5-16/h1-5,7,9,14-15,20H,6,8,10-13H2,(H,25,29)(H,26,30)/t20-/m0/s1
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| InChIKey |
QORWKSQIFABYNQ-FQEVSTJZSA-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