General Information of the Compound
| Compound ID |
CP0442276
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| Compound Name |
US8987445, 237
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| Structure |
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| Formula |
C27H22ClN3O4S
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| Molecular Weight |
520.01
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| Canonical SMILES |
Cc1c(ncc2ccccc12)N(Cc1ccc2n(C)cc(Cl)c2c1)S(=O)(=O)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C27H22ClN3O4S/c1-17-22-6-4-3-5-20(22)14-29-26(17)31(36(34,35)21-10-8-19(9-11-21)27(32)33)15-18-7-12-25-23(13-18)24(28)16-30(25)2/h3-14,16H,15H2,1-2H3,(H,32,33)
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| InChIKey |
XREIEIIMGZWLSM-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