General Information of the Compound
| Compound ID |
CP0575984
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| Compound Name |
CHEMBL5197247
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| Formula |
C28H38N6O3S2
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| Molecular Weight |
570.785
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| Canonical SMILES |
CNS(=O)(=O)c1cccc(c1)C(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@H](C2)n1c(C)nnc1C(C)C)c1cccs1
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| InChI |
InChI=1S/C28H38N6O3S2/c1-18(2)27-32-31-19(3)34(27)23-16-21-10-11-22(17-23)33(21)13-12-25(26-9-6-14-38-26)30-28(35)20-7-5-8-24(15-20)39(36,37)29-4/h5-9,14-15,18,21-23,25,29H,10-13,16-17H2,1-4H3,(H,30,35)/t21-,22+,23-,25-/m0/s1
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| InChIKey |
HXHSUXXDLHROMO-AANQFLQQSA-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