General Information of the Compound
| Compound ID |
CP0833870
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| Compound Name |
(S,E)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-(1-(4-(diethylamino)but-2-enoyl)-1,2,3,6-tetrahydropyridin-4-yl)phenyl)propanamide
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| Structure |
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| Formula |
C28H37N5O2
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| Molecular Weight |
475.637
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| Canonical SMILES |
CCN(CC)C/C=C/C(=O)N1CC=C(c2ccc([C@H](C)C(=O)Nc3cc(C4CC4)[nH]n3)cc2)CC1
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| InChI |
InChI=1S/C28H37N5O2/c1-4-32(5-2)16-6-7-27(34)33-17-14-23(15-18-33)22-10-8-21(9-11-22)20(3)28(35)29-26-19-25(30-31-26)24-12-13-24/h6-11,14,19-20,24H,4-5,12-13,15-18H2,1-3H3,(H2,29,30,31,35)/b7-6+/t20-/m0/s1
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| InChIKey |
NFYBILFYIVKJHJ-YJJPMGAVSA-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