General Information of the Compound
| Compound ID |
CP0396996
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| Compound Name |
CHEMBL3361209
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| Formula |
C26H31N5O3S
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| Molecular Weight |
493.633
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| Canonical SMILES |
CS(=O)(=O)c1ccc(CNc2cc(nc(NC[C@H]3CC[C@@H](CC3)C(N)=O)n2)-c2ccccc2)cc1
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| InChI |
InChI=1S/C26H31N5O3S/c1-35(33,34)22-13-9-19(10-14-22)16-28-24-15-23(20-5-3-2-4-6-20)30-26(31-24)29-17-18-7-11-21(12-8-18)25(27)32/h2-6,9-10,13-15,18,21H,7-8,11-12,16-17H2,1H3,(H2,27,32)(H2,28,29,30,31)/t18-,21-
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| InChIKey |
QEKHCYSZJUULPI-XGAFWQRZSA-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