General Information of the Compound
| Compound ID |
CP0349499
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| Compound Name |
3-[[(2S)-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanoyl]amino]-5-pyridin-4-ylbenzoic acid
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| Structure |
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| Formula |
C25H22N4O3S
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| Molecular Weight |
458.543
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| Canonical SMILES |
OC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)NCc2cscn2)cc(c1)-c1ccncc1
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| InChI |
InChI=1S/C25H22N4O3S/c30-24(23(10-17-4-2-1-3-5-17)27-14-22-15-33-16-28-22)29-21-12-19(11-20(13-21)25(31)32)18-6-8-26-9-7-18/h1-9,11-13,15-16,23,27H,10,14H2,(H,29,30)(H,31,32)/t23-/m0/s1
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| InChIKey |
AFWNZGMHIZENTJ-QHCPKHFHSA-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