General Information of the Compound
| Compound ID |
CP0957362
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| Compound Name |
US8993565, 145
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| Structure |
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| Formula |
C23H31N5O3
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| Molecular Weight |
425.533
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| Canonical SMILES |
CCN(CC)CC1CN(C(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c2ccccc21
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| InChI |
InChI=1S/C23H31N5O3/c1-3-26(4-2)15-17-16-28(19-8-6-5-7-18(17)19)23(30)13-20-24-21(14-22(29)25-20)27-9-11-31-12-10-27/h5-8,14,17H,3-4,9-13,15-16H2,1-2H3,(H,24,25,29)
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| InChIKey |
LQOLIQZWICBAKX-UHFFFAOYSA-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