General Information of the Compound
| Compound ID |
CP0917677
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| Compound Name |
2-{4-[(4-Chloro-quinolin-6-ylmethyl)-ethyl-amino]-benzoylamino}-pentanedioic acid; compound with formic acid hydrate
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| Structure |
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| Formula |
C25H26ClN3O7
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| Molecular Weight |
515.95
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| Canonical SMILES |
CCN(Cc1ccc2nccc(Cl)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1.O=CO
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| InChI |
InChI=1S/C24H24ClN3O5.CH2O2/c1-2-28(14-15-3-8-20-18(13-15)19(25)11-12-26-20)17-6-4-16(5-7-17)23(31)27-21(24(32)33)9-10-22(29)30;2-1-3/h3-8,11-13,21H,2,9-10,14H2,1H3,(H,27,31)(H,29,30)(H,32,33);1H,(H,2,3)/t21-;/m0./s1
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| InChIKey |
KVQBFKTVXLSHLR-BOXHHOBZSA-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