General Information of the Compound
| Compound ID |
CP0406296
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| Compound Name |
4-Amino-5-chloro-2-methoxy-benzoic acid 2-{4-[8-(5-dimethylamino-naphthalene-1-sulfonylamino)-octanoyl]-piperazin-1-yl}-ethyl ester
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| Structure |
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| Formula |
C34H46ClN5O6S
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| Molecular Weight |
688.291
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| Canonical SMILES |
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)C(=O)CCCCCCCNS(=O)(=O)c1cccc2c(cccc12)N(C)C
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| InChI |
InChI=1S/C34H46ClN5O6S/c1-38(2)30-13-9-12-26-25(30)11-10-14-32(26)47(43,44)37-16-8-6-4-5-7-15-33(41)40-19-17-39(18-20-40)21-22-46-34(42)27-23-28(35)29(36)24-31(27)45-3/h9-14,23-24,37H,4-8,15-22,36H2,1-3H3
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| InChIKey |
OGWFCFAHGOUKCT-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