General Information of the Compound
| Compound ID |
CP0426271
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| Compound Name |
3-[2-(3,4-dichlorophenyl)ethylamino]-N-[2-[2-(5-hydroxy-3-oxo-4H-1,4-benzoxazin-8-yl)ethylamino]ethyl]-N-methylpropanamide
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| Formula |
C24H30Cl2N4O4
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| Molecular Weight |
509.434
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| Canonical SMILES |
CN(CCNCCc1ccc(O)c2NC(=O)COc12)C(=O)CCNCCc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C24H30Cl2N4O4/c1-30(22(33)8-11-27-9-6-16-2-4-18(25)19(26)14-16)13-12-28-10-7-17-3-5-20(31)23-24(17)34-15-21(32)29-23/h2-5,14,27-28,31H,6-13,15H2,1H3,(H,29,32)
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| InChIKey |
IIBYSWUVRGIPEC-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