General Information of the Compound
| Compound ID |
CP0567696
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| Compound Name |
CHEMBL5205626
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| Formula |
C24H34N6OS
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| Molecular Weight |
454.644
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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)CC#N)c1ccc(C)s1
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| InChI |
InChI=1S/C24H34N6OS/c1-15(2)24-28-27-17(4)30(24)20-13-18-6-7-19(14-20)29(18)12-10-21(26-23(31)9-11-25)22-8-5-16(3)32-22/h5,8,15,18-21H,6-7,9-10,12-14H2,1-4H3,(H,26,31)/t18-,19+,20-,21-/m0/s1
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| InChIKey |
PQGFHNMYQILCBU-WOZUAGRISA-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