General Information of the Compound
| Compound ID |
CP0042063
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| Compound Name |
2-[[(2S)-1-[(2-methyl-5-pyridin-4-ylpyrazol-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]acetic acid
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| Structure |
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| Formula |
C20H21N5O3
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| Molecular Weight |
379.42
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| Canonical SMILES |
Cn1nc(cc1NC(=O)[C@H](Cc1ccccc1)NCC(O)=O)-c1ccncc1
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| InChI |
InChI=1S/C20H21N5O3/c1-25-18(12-16(24-25)15-7-9-21-10-8-15)23-20(28)17(22-13-19(26)27)11-14-5-3-2-4-6-14/h2-10,12,17,22H,11,13H2,1H3,(H,23,28)(H,26,27)/t17-/m0/s1
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| InChIKey |
LWMQAANXGYCZIW-KRWDZBQOSA-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