General Information of the Compound
| Compound ID |
CP0462107
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| Compound Name |
CHEMBL4246290
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| Formula |
C27H43N7OS
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| Molecular Weight |
513.756
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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(C)CC1)c1ccc(C)s1
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| InChI |
InChI=1S/C27H43N7OS/c1-18(2)26-30-29-20(4)34(26)23-16-21-7-8-22(17-23)33(21)11-10-24(25-9-6-19(3)36-25)28-27(35)32-14-12-31(5)13-15-32/h6,9,18,21-24H,7-8,10-17H2,1-5H3,(H,28,35)/t21-,22+,23-,24-/m0/s1
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| InChIKey |
MIBRUKZARMQRIE-KIHHCIJBSA-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