General Information of the Compound
| Compound ID |
CP0559550
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| Compound Name |
CHEMBL4249241
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| Formula |
C28H43N7O2S
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| Molecular Weight |
541.766
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| Canonical SMILES |
CC(C)c1nnc(C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)N1CCN(CC1)C(C)=O)c1ccc(C)s1
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| InChI |
InChI=1S/C28H43N7O2S/c1-18(2)27-31-30-20(4)35(27)24-16-22-7-8-23(17-24)34(22)11-10-25(26-9-6-19(3)38-26)29-28(37)33-14-12-32(13-15-33)21(5)36/h6,9,18,22-25H,7-8,10-17H2,1-5H3,(H,29,37)/t22-,23+,24-,25-/m0/s1
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| InChIKey |
PWEMXSRWMWBVKF-NDBXHCKUSA-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