General Information of the Compound
| Compound ID |
CP0513941
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| Compound Name |
US8541380, 23
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| Structure |
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| Formula |
C24H27ClN2O5S
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| Molecular Weight |
491.009
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| Canonical SMILES |
CCCc1ccc(cc1)-c1nnc(Cc2cc(ccc2Cl)C2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)s1
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| InChI |
InChI=1S/C24H27ClN2O5S/c1-2-3-13-4-6-14(7-5-13)24-27-26-19(33-24)11-16-10-15(8-9-17(16)25)23-22(31)21(30)20(29)18(12-28)32-23/h4-10,18,20-23,28-31H,2-3,11-12H2,1H3/t18-,20-,21+,22-,23?/m1/s1
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| InChIKey |
HATHBWOHNGFQDL-HZKCKKNMSA-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