General Information of the Compound
| Compound ID |
CP0908258
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| Compound Name |
2-[4-({6-[6-Amino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]hexanoyl}amino)piperidino]ethyl 4-Amino-5-chloro-2-methoxybenzoate
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| Structure |
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| Formula |
C32H36ClN5O6
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| Molecular Weight |
622.122
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| Canonical SMILES |
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(NC(=O)CCCCN2C(=O)c3cccc4c(N)ccc(c34)C2=O)CC1
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| InChI |
InChI=1S/C32H36ClN5O6/c1-43-27-18-26(35)24(33)17-23(27)32(42)44-16-15-37-13-10-19(11-14-37)36-28(39)7-2-3-12-38-30(40)21-6-4-5-20-25(34)9-8-22(29(20)21)31(38)41/h4-6,8-9,17-19H,2-3,7,10-16,34-35H2,1H3,(H,36,39)
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| InChIKey |
CJQFLHKXINHNKQ-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