General Information of the Compound
| Compound ID |
CP0448513
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| Compound Name |
4-Amino-5-chloro-2-methoxy-benzoic acid 2-[4-(5-dimethylamino-naphthalene-1-sulfonylamino)-piperidin-1-yl]-ethyl ester
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| Structure |
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| Formula |
C27H33ClN4O5S
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| Molecular Weight |
561.104
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| Canonical SMILES |
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NS(=O)(=O)c1cccc2c(cccc12)N(C)C
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| InChI |
InChI=1S/C27H33ClN4O5S/c1-31(2)24-8-4-7-20-19(24)6-5-9-26(20)38(34,35)30-18-10-12-32(13-11-18)14-15-37-27(33)21-16-22(28)23(29)17-25(21)36-3/h4-9,16-18,30H,10-15,29H2,1-3H3
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| InChIKey |
FUSUHIRVQYAQEE-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