General Information of the Compound
| Compound ID |
CP0427269
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| Compound Name |
2-{4-[(4-Chloro-2-methyl-quinolin-6-ylmethyl)-ethyl-amino]-benzoylamino}-pentanedioic acid ; hydrate
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| Structure |
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| Formula |
C25H26ClN3O5
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| Molecular Weight |
483.952
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| Canonical SMILES |
CCN(Cc1ccc2nc(C)cc(Cl)c2c1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
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| InChI |
InChI=1S/C25H26ClN3O5/c1-3-29(14-16-4-9-21-19(13-16)20(26)12-15(2)27-21)18-7-5-17(6-8-18)24(32)28-22(25(33)34)10-11-23(30)31/h4-9,12-13,22H,3,10-11,14H2,1-2H3,(H,28,32)(H,30,31)(H,33,34)/t22-/m0/s1
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| InChIKey |
ICTQLABCGVBHMR-QFIPXVFZSA-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