General Information of the Compound
| Compound ID |
CP0528125
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| Compound Name |
2-{4-[(2-Amino-4-methoxy-quinolin-6-ylmethyl)-ethyl-amino]-benzoylamino}-pentanedioic acid ; hydrate
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| Structure |
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| Formula |
C25H28N4O6
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| Molecular Weight |
480.521
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| Canonical SMILES |
CCN(Cc1ccc2nc(N)cc(OC)c2c1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
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| InChI |
InChI=1S/C25H28N4O6/c1-3-29(14-15-4-9-19-18(12-15)21(35-2)13-22(26)27-19)17-7-5-16(6-8-17)24(32)28-20(25(33)34)10-11-23(30)31/h4-9,12-13,20H,3,10-11,14H2,1-2H3,(H2,26,27)(H,28,32)(H,30,31)(H,33,34)/t20-/m0/s1
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| InChIKey |
CFOUPFQGKCCMHG-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