General Information of the Compound
| Compound ID |
CP0033712
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| Compound Name |
2-[2-(2-methoxyanilino)pyridin-4-yl]-1'-prop-2-enoylspiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one
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| Structure |
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| Formula |
C26H27N5O3
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| Molecular Weight |
457.534
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| Canonical SMILES |
COc1ccccc1Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCN(CC1)C(=O)C=C)CNC2=O
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| InChI |
InChI=1S/C26H27N5O3/c1-3-23(32)31-12-9-26(10-13-31)16-28-25(33)18-15-20(30-24(18)26)17-8-11-27-22(14-17)29-19-6-4-5-7-21(19)34-2/h3-8,11,14-15,30H,1,9-10,12-13,16H2,2H3,(H,27,29)(H,28,33)
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| InChIKey |
APTMEHXNVBAXJT-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