General Information of the Compound
| Compound ID |
CP0768167
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| Compound Name |
(S,E)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-(1-(4-morpholinobut-2-enoyl)-1,2,3,6-tetrahydropyridin-4-yl)phenyl)propanamide
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| Structure |
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| Formula |
C28H35N5O3
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| Molecular Weight |
489.62
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| Canonical SMILES |
C[C@H](C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(C2=CCN(C(=O)/C=C/CN3CCOCC3)CC2)cc1
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| InChI |
InChI=1S/C28H35N5O3/c1-20(28(35)29-26-19-25(30-31-26)24-8-9-24)21-4-6-22(7-5-21)23-10-13-33(14-11-23)27(34)3-2-12-32-15-17-36-18-16-32/h2-7,10,19-20,24H,8-9,11-18H2,1H3,(H2,29,30,31,35)/b3-2+/t20-/m0/s1
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| InChIKey |
KUPBLGREELQEBD-NUALSEBGSA-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