General Information of the Compound
| Compound ID |
CP0441711
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| Compound Name |
2-{4-[(4-Chloro-2-methyl-quinolin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid ; hydrate
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| Structure |
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| Formula |
C23H22ClN3O5
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| Molecular Weight |
455.898
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| Canonical SMILES |
Cc1cc(Cl)c2cc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)ccc2n1
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| InChI |
InChI=1S/C23H22ClN3O5/c1-13-10-18(24)17-11-14(2-7-19(17)26-13)12-25-16-5-3-15(4-6-16)22(30)27-20(23(31)32)8-9-21(28)29/h2-7,10-11,20,25H,8-9,12H2,1H3,(H,27,30)(H,28,29)(H,31,32)/t20-/m0/s1
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| InChIKey |
WYUZFANHEGPQLB-FQEVSTJZSA-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