General Information of the Compound
| Compound ID |
CP0453192
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| Compound Name |
4-Amino-5-chloro-2-methoxy-benzoic acid 2-{4-[3-(5-dimethylamino-naphthalene-1-sulfonylamino)-propyl]-piperidin-1-yl}-ethyl ester
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| Structure |
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| Formula |
C30H39ClN4O5S
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| Molecular Weight |
603.185
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| Canonical SMILES |
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CCCNS(=O)(=O)c2cccc3c(cccc23)N(C)C)CC1
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| InChI |
InChI=1S/C30H39ClN4O5S/c1-34(2)27-10-4-9-23-22(27)8-5-11-29(23)41(37,38)33-14-6-7-21-12-15-35(16-13-21)17-18-40-30(36)24-19-25(31)26(32)20-28(24)39-3/h4-5,8-11,19-21,33H,6-7,12-18,32H2,1-3H3
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| InChIKey |
YHCFZPZXTBTPOA-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