General Information of the Compound
| Compound ID |
CP0453489
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| Compound Name |
4-Amino-5-chloro-2-methoxy-benzoic acid 2-{4-[4-(5-dimethylamino-naphthalene-1-sulfonylamino)-butyryl]-piperazin-1-yl}-ethyl ester
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| Structure |
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| Formula |
C30H38ClN5O6S
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| Molecular Weight |
632.183
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| Canonical SMILES |
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)C(=O)CCCNS(=O)(=O)c1cccc2c(cccc12)N(C)C
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| InChI |
InChI=1S/C30H38ClN5O6S/c1-34(2)26-9-4-8-22-21(26)7-5-10-28(22)43(39,40)33-12-6-11-29(37)36-15-13-35(14-16-36)17-18-42-30(38)23-19-24(31)25(32)20-27(23)41-3/h4-5,7-10,19-20,33H,6,11-18,32H2,1-3H3
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| InChIKey |
ACMAMEZWCWXTFB-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