General Information of the Compound
| Compound ID |
CP0487185
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| Compound Name |
CHEMBL4249259
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| Formula |
C29H38FN5OS
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| Molecular Weight |
523.722
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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)Cc1ccc(F)cc1)c1ccc(C)s1
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| InChI |
InChI=1S/C29H38FN5OS/c1-18(2)29-33-32-20(4)35(29)25-16-23-10-11-24(17-25)34(23)14-13-26(27-12-5-19(3)37-27)31-28(36)15-21-6-8-22(30)9-7-21/h5-9,12,18,23-26H,10-11,13-17H2,1-4H3,(H,31,36)/t23-,24+,25-,26-/m0/s1
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| InChIKey |
NGKRMJUXNUUQGJ-QYOOZWMWSA-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