General Information of the Compound
| Compound ID |
CP0482071
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| Compound Name |
CHEMBL2059579
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| Formula |
C25H39N5O2
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| Molecular Weight |
441.62
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| Canonical SMILES |
CC(C)N(C)CC(O)CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1nn(C(C)C)c2ccccc12
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| InChI |
InChI=1S/C25H39N5O2/c1-16(2)28(5)14-21(31)15-29-19-10-11-20(29)13-18(12-19)26-25(32)24-22-8-6-7-9-23(22)30(27-24)17(3)4/h6-9,16-21,31H,10-15H2,1-5H3,(H,26,32)/t18-,19+,20-,21?
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| InChIKey |
BGFSEKYXUQKOMR-CWNQJQRUSA-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