General Information of the Compound
| Compound ID |
CP0950773
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| Compound Name |
SID99357416
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| Structure |
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| Formula |
C28H37N5O5S
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| Molecular Weight |
555.701
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| Canonical SMILES |
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(-c3ccccc3)cc2)OCc2cn(nn2)CCCC1=O
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| InChI |
InChI=1S/C28H37N5O5S/c1-21-16-33(22(2)19-34)28(35)10-7-15-32-17-25(29-30-32)20-38-27(21)18-31(3)39(36,37)26-13-11-24(12-14-26)23-8-5-4-6-9-23/h4-6,8-9,11-14,17,21-22,27,34H,7,10,15-16,18-20H2,1-3H3/t21-,22+,27+/m0/s1
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| InChIKey |
KKXDONJUIJKAIN-OREGWCPLSA-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