General Information of the Compound
| Compound ID |
CP0547458
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| Compound Name |
3-amino-5-[4-[(4-ethylpyridin-2-yl)carbamoyl]phenyl]-2-(2-prop-2-enoyl-2-azaspiro[3.3]heptan-6-yl)imidazole-4-carboxamide
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| Structure |
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| Formula |
C27H29N7O3
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| Molecular Weight |
499.575
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| Canonical SMILES |
CCc1ccnc(NC(=O)c2ccc(cc2)-c2nc(C3CC4(C3)CN(C4)C(=O)C=C)n(N)c2C(N)=O)c1
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| InChI |
InChI=1S/C27H29N7O3/c1-3-16-9-10-30-20(11-16)31-26(37)18-7-5-17(6-8-18)22-23(24(28)36)34(29)25(32-22)19-12-27(13-19)14-33(15-27)21(35)4-2/h4-11,19H,2-3,12-15,29H2,1H3,(H2,28,36)(H,30,31,37)
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| InChIKey |
JTQQJHUUBTTXQX-UHFFFAOYSA-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