General Information of the Compound
| Compound ID |
CP0391272
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| Compound Name |
4-Amino-5-chloro-2-methoxy-benzoic acid 2-[4-(6-amino-1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-ylmethyl)-piperidin-1-yl]-ethyl ester
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| Structure |
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| Formula |
C28H29ClN4O5
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| Molecular Weight |
537.016
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| Canonical SMILES |
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CN2C(=O)c3cccc4c(N)ccc(C2=O)c34)CC1
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| InChI |
InChI=1S/C28H29ClN4O5/c1-37-24-14-23(31)21(29)13-20(24)28(36)38-12-11-32-9-7-16(8-10-32)15-33-26(34)18-4-2-3-17-22(30)6-5-19(25(17)18)27(33)35/h2-6,13-14,16H,7-12,15,30-31H2,1H3
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| InChIKey |
XGROYDBQYXXGJQ-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