General Information of the Compound
| Compound ID |
CP0579142
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| Compound Name |
CHEMBL5192584
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| Formula |
C30H44N4O2
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| Molecular Weight |
492.708
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| Canonical SMILES |
CCOCc1cccc(N[C@H]2CC[C@@H](CC2)C(=O)N(C)c2ccc(CN3CCN[C@@H](C)C3)c(C)c2)c1
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| InChI |
InChI=1S/C30H44N4O2/c1-5-36-21-24-7-6-8-28(18-24)32-27-12-9-25(10-13-27)30(35)33(4)29-14-11-26(22(2)17-29)20-34-16-15-31-23(3)19-34/h6-8,11,14,17-18,23,25,27,31-32H,5,9-10,12-13,15-16,19-21H2,1-4H3/t23-,25-,27-/m0/s1
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| InChIKey |
VCXQUICNSDSXOG-RMDSEJHCSA-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