General Information of the Compound
| Compound ID |
CP0034107
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| Compound Name |
2-[2-(2-propan-2-yloxyanilino)pyrimidin-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 |
C27H30N6O3
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| Molecular Weight |
486.576
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| Canonical SMILES |
CC(C)Oc1ccccc1Nc1nccc(n1)-c1cc2c([nH]1)C1(CCN(CC1)C(=O)C=C)CNC2=O
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| InChI |
InChI=1S/C27H30N6O3/c1-4-23(34)33-13-10-27(11-14-33)16-29-25(35)18-15-21(30-24(18)27)19-9-12-28-26(31-19)32-20-7-5-6-8-22(20)36-17(2)3/h4-9,12,15,17,30H,1,10-11,13-14,16H2,2-3H3,(H,29,35)(H,28,31,32)
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| InChIKey |
JAGCNUONHIJLJS-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