General Information of the Compound
| Compound ID |
CP0448456
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| Compound Name |
4-Amino-5-chloro-2-methoxy-benzoic acid 2-{4-[6-(5-dimethylamino-naphthalene-1-sulfonylamino)-hexanoyl]-piperazin-1-yl}-ethyl ester
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| Structure |
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| Formula |
C32H42ClN5O6S
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| Molecular Weight |
660.237
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| Canonical SMILES |
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)C(=O)CCCCCNS(=O)(=O)c1cccc2c(cccc12)N(C)C
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| InChI |
InChI=1S/C32H42ClN5O6S/c1-36(2)28-11-7-10-24-23(28)9-8-12-30(24)45(41,42)35-14-6-4-5-13-31(39)38-17-15-37(16-18-38)19-20-44-32(40)25-21-26(33)27(34)22-29(25)43-3/h7-12,21-22,35H,4-6,13-20,34H2,1-3H3
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| InChIKey |
ZPNOJRBBOYXYIY-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