General Information of the Compound
| Compound ID |
CP0577242
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| Compound Name |
3-amino-2-[(2S)-1-prop-2-enoylpyrrolidin-2-yl]-5-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazole-4-carboxamide
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| Structure |
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| Formula |
C23H23N7O3
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| Molecular Weight |
445.483
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| Canonical SMILES |
NC(=O)c1c(nc([C@@H]2CCCN2C(=O)C=C)n1N)-c1ccc(cc1)C(=O)Nc1ccccn1
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| InChI |
InChI=1S/C23H23N7O3/c1-2-18(31)29-13-5-6-16(29)22-28-19(20(21(24)32)30(22)25)14-8-10-15(11-9-14)23(33)27-17-7-3-4-12-26-17/h2-4,7-12,16H,1,5-6,13,25H2,(H2,24,32)(H,26,27,33)/t16-/m0/s1
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| InChIKey |
SHMQUXZNVFUULN-INIZCTEOSA-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