General Information of the Compound
| Compound ID |
CP0944787
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| Compound Name |
SID131455689
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| Structure |
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| Formula |
C29H37ClN2O6S
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| Molecular Weight |
577.143
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| Canonical SMILES |
O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2S(=O)(=O)c2ccccc2Cl)O1)N1CCC(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C29H37ClN2O6S/c30-25-8-4-5-9-28(25)39(35,36)32-18-23(33)19-37-20-27-26(32)11-10-24(38-27)17-29(34)31-14-12-22(13-15-31)16-21-6-2-1-3-7-21/h1-9,22-24,26-27,33H,10-20H2/t23-,24+,26-,27+/m1/s1
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| InChIKey |
IFGMDPZVMQSMOJ-PTJMHOJZSA-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