General Information of the Compound
| Compound ID |
CP0482488
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| Compound Name |
2-[5-[[(2S)-3-phenyl-2-(1,3-thiazol-5-ylmethylamino)propanoyl]amino]-3-pyridin-4-ylpyrazol-1-yl]acetic acid
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| Structure |
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| Formula |
C23H22N6O3S
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| Molecular Weight |
462.535
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| Canonical SMILES |
OC(=O)Cn1nc(cc1NC(=O)[C@H](Cc1ccccc1)NCc1cncs1)-c1ccncc1
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| InChI |
InChI=1S/C23H22N6O3S/c30-22(31)14-29-21(11-19(28-29)17-6-8-24-9-7-17)27-23(32)20(10-16-4-2-1-3-5-16)26-13-18-12-25-15-33-18/h1-9,11-12,15,20,26H,10,13-14H2,(H,27,32)(H,30,31)/t20-/m0/s1
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| InChIKey |
JEVGMOQOJSHBAO-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