General Information of the Compound
| Compound ID |
CP0095561
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| Compound Name |
US8772478, 15
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| Structure |
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| Formula |
C25H30N4O5S
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| Molecular Weight |
498.605
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| Canonical SMILES |
Cc1cc(COc2ccc(cc2)S(=O)(=O)NC[C@H](N2CCCCC2)C(=O)NO)c2ccccc2n1
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| InChI |
InChI=1S/C25H30N4O5S/c1-18-15-19(22-7-3-4-8-23(22)27-18)17-34-20-9-11-21(12-10-20)35(32,33)26-16-24(25(30)28-31)29-13-5-2-6-14-29/h3-4,7-12,15,24,26,31H,2,5-6,13-14,16-17H2,1H3,(H,28,30)/t24-/m0/s1
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| InChIKey |
XYPVMSYCSIAWKF-DEOSSOPVSA-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