General Information of the Compound
| Compound ID |
CP0448448
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| Compound Name |
4-Amino-5-chloro-2-methoxy-benzoic acid 2-{4-[(5-dimethylamino-naphthalene-1-sulfonylamino)-methyl]-piperidin-1-yl}-ethyl ester
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| Structure |
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| Formula |
C28H35ClN4O5S
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| Molecular Weight |
575.131
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| Canonical SMILES |
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CNS(=O)(=O)c2cccc3c(cccc23)N(C)C)CC1
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| InChI |
InChI=1S/C28H35ClN4O5S/c1-32(2)25-8-4-7-21-20(25)6-5-9-27(21)39(35,36)31-18-19-10-12-33(13-11-19)14-15-38-28(34)22-16-23(29)24(30)17-26(22)37-3/h4-9,16-17,19,31H,10-15,18,30H2,1-3H3
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| InChIKey |
DQDVLSZRPPRPHE-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