General Information of the Compound
| Compound ID |
CP0571780
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| Compound Name |
5-amino-3-[4-(2,4-difluorophenoxy)phenyl]-1-[(3R)-1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-3-yl]pyrazole-4-carboxamide
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| Structure |
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| Formula |
C27H30F2N6O3
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| Molecular Weight |
524.572
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| Canonical SMILES |
CN(C)C\C=C\C(=O)N1CCC[C@H](C1)n1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccc(F)cc2F)cc1
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| InChI |
InChI=1S/C27H30F2N6O3/c1-33(2)13-4-6-23(36)34-14-3-5-19(16-34)35-26(30)24(27(31)37)25(32-35)17-7-10-20(11-8-17)38-22-12-9-18(28)15-21(22)29/h4,6-12,15,19H,3,5,13-14,16,30H2,1-2H3,(H2,31,37)/b6-4+/t19-/m1/s1
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| InChIKey |
AVBJNQBGNDBYNQ-FHHGHWCOSA-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