General Information of the Compound
| Compound ID |
CP0384780
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| Compound Name |
US8637501, 109
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| Structure |
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| Formula |
C24H23ClN4O2
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| Molecular Weight |
434.927
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| Canonical SMILES |
Cn1c2CCNCCc2c2ccc(nc12)-n1ccc(OCc2ccc(Cl)cc2)cc1=O
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| InChI |
InChI=1S/C24H23ClN4O2/c1-28-21-9-12-26-11-8-19(21)20-6-7-22(27-24(20)28)29-13-10-18(14-23(29)30)31-15-16-2-4-17(25)5-3-16/h2-7,10,13-14,26H,8-9,11-12,15H2,1H3
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| InChIKey |
MFEBVDHCWFVGMG-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