General Information of the Compound
| Compound ID |
CP0374634
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| Compound Name |
4-Amino-5-chloro-2-methoxy-benzoic acid 2-{4-[4-(5-dimethylamino-naphthalene-1-sulfonylamino)-butyl]-piperidin-1-yl}-ethyl ester
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| Structure |
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| Formula |
C31H41ClN4O5S
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| Molecular Weight |
617.212
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| Canonical SMILES |
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CCCCNS(=O)(=O)c2cccc3c(cccc23)N(C)C)CC1
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| InChI |
InChI=1S/C31H41ClN4O5S/c1-35(2)28-11-6-10-24-23(28)9-7-12-30(24)42(38,39)34-15-5-4-8-22-13-16-36(17-14-22)18-19-41-31(37)25-20-26(32)27(33)21-29(25)40-3/h6-7,9-12,20-22,34H,4-5,8,13-19,33H2,1-3H3
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| InChIKey |
UAGQBZXOHKNJRH-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