General Information of the Compound
| Compound ID |
CP0457753
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| Compound Name |
(2S)-1-[5-[4-[(4-chlorophenyl)carbamoylamino]phenyl]pyridine-2-carbonyl]pyrrolidine-2-carboxylic acid
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| Structure |
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| Formula |
C24H21ClN4O4
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| Molecular Weight |
464.909
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| Canonical SMILES |
OC(=O)[C@@H]1CCCN1C(=O)c1ccc(cn1)-c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
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| InChI |
InChI=1S/C24H21ClN4O4/c25-17-6-10-19(11-7-17)28-24(33)27-18-8-3-15(4-9-18)16-5-12-20(26-14-16)22(30)29-13-1-2-21(29)23(31)32/h3-12,14,21H,1-2,13H2,(H,31,32)(H2,27,28,33)/t21-/m0/s1
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| InChIKey |
WJGXLXFAHRGBAW-NRFANRHFSA-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