General Information of the Compound
| Compound ID |
CP0449396
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| Compound Name |
4-Amino-5-chloro-2-methoxy-benzoic acid 2-[4-(6-dimethylamino-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 |
C30H33ClN4O5
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| Molecular Weight |
565.07
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| Canonical SMILES |
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CN2C(=O)c3cccc4c(ccc(C2=O)c34)N(C)C)CC1
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| InChI |
InChI=1S/C30H33ClN4O5/c1-33(2)25-8-7-21-27-19(25)5-4-6-20(27)28(36)35(29(21)37)17-18-9-11-34(12-10-18)13-14-40-30(38)22-15-23(31)24(32)16-26(22)39-3/h4-8,15-16,18H,9-14,17,32H2,1-3H3
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| InChIKey |
ZHTOSNQGEAYJOC-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