General Information of the Compound
| Compound ID |
CP0570926
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| Compound Name |
3-amino-5-[4-[(4-ethylpyridin-2-yl)carbamoyl]phenyl]-2-[(2S)-1-(2-methylprop-2-enoyl)piperidin-2-yl]imidazole-4-carboxamide
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| Structure |
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| Formula |
C27H31N7O3
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| Molecular Weight |
501.591
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| Canonical SMILES |
CCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C(C)=C)n(N)c2C(N)=O)c1
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| InChI |
InChI=1S/C27H31N7O3/c1-4-17-12-13-30-21(15-17)31-26(36)19-10-8-18(9-11-19)22-23(24(28)35)34(29)25(32-22)20-7-5-6-14-33(20)27(37)16(2)3/h8-13,15,20H,2,4-7,14,29H2,1,3H3,(H2,28,35)(H,30,31,36)/t20-/m0/s1
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| InChIKey |
DTLMCRKZNDQUTL-FQEVSTJZSA-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