General Information of the Compound
| Compound ID |
CP0407789
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| Compound Name |
(2S)-1-[5-[4-[(3-methoxyphenyl)carbamoylamino]phenyl]pyridine-2-carbonyl]pyrrolidine-2-carboxylic acid
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| Structure |
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| Formula |
C25H24N4O5
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| Molecular Weight |
460.49
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| Canonical SMILES |
COc1cccc(NC(=O)Nc2ccc(cc2)-c2ccc(nc2)C(=O)N2CCC[C@H]2C(O)=O)c1
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| InChI |
InChI=1S/C25H24N4O5/c1-34-20-5-2-4-19(14-20)28-25(33)27-18-10-7-16(8-11-18)17-9-12-21(26-15-17)23(30)29-13-3-6-22(29)24(31)32/h2,4-5,7-12,14-15,22H,3,6,13H2,1H3,(H,31,32)(H2,27,28,33)/t22-/m0/s1
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| InChIKey |
AHFLJDMBGMOHGL-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