General Information of the Compound
| Compound ID |
CP0890227
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| Compound Name |
SID99357801
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| Structure |
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| Formula |
C27H36N6O4S
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| Molecular Weight |
540.69
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| Canonical SMILES |
C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2ccc(-c3cccs3)cc2)OCc2cnnn2CCCC1=O
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| InChI |
InChI=1S/C27H36N6O4S/c1-19-15-32(20(2)17-34)26(35)7-4-12-33-23(14-28-30-33)18-37-24(19)16-31(3)27(36)29-22-10-8-21(9-11-22)25-6-5-13-38-25/h5-6,8-11,13-14,19-20,24,34H,4,7,12,15-18H2,1-3H3,(H,29,36)/t19-,20+,24-/m0/s1
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| InChIKey |
LQHROLCQRFFWPT-ROKPMTFOSA-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