General Information of the Compound
| Compound ID |
CP0392130
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| Compound Name |
CHEMBL4250560
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| Formula |
C27H39N5O2S
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| Molecular Weight |
497.709
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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)C1=CCOCC1)c1ccc(C)s1
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| InChI |
InChI=1S/C27H39N5O2S/c1-17(2)26-30-29-19(4)32(26)23-15-21-6-7-22(16-23)31(21)12-9-24(25-8-5-18(3)35-25)28-27(33)20-10-13-34-14-11-20/h5,8,10,17,21-24H,6-7,9,11-16H2,1-4H3,(H,28,33)/t21-,22+,23-,24-/m0/s1
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| InChIKey |
VYCGYZCEQZLXNE-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