General Information of the Compound
| Compound ID |
CP0702760
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| Compound Name |
(S,E)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-(1-(4-(dimethylamino)but-2-enoyl)-1,2,3,6-tetrahydropyridin-4-yl)phenyl)propanamide
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| Structure |
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| Formula |
C26H33N5O2
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| Molecular Weight |
447.583
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| Canonical SMILES |
C[C@H](C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(C2=CCN(C(=O)/C=C/CN(C)C)CC2)cc1
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| InChI |
InChI=1S/C26H33N5O2/c1-18(26(33)27-24-17-23(28-29-24)22-10-11-22)19-6-8-20(9-7-19)21-12-15-31(16-13-21)25(32)5-4-14-30(2)3/h4-9,12,17-18,22H,10-11,13-16H2,1-3H3,(H2,27,28,29,33)/b5-4+/t18-/m0/s1
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| InChIKey |
IEVJHGZSBPGTMO-WRFKIARRSA-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