General Information of the Compound
| Compound ID |
CP0574100
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| Compound Name |
1'-[3-(dimethylamino)prop-2-ynoyl]-2-[2-(2-methoxyanilino)pyrimidin-4-yl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one
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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 |
COc1ccccc1Nc1nccc(n1)-c1cc2c([nH]1)C1(CCN(CC1)C(=O)C#CN(C)C)CNC2=O
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| InChI |
InChI=1S/C27H29N7O3/c1-33(2)13-9-23(35)34-14-10-27(11-15-34)17-29-25(36)18-16-21(30-24(18)27)19-8-12-28-26(31-19)32-20-6-4-5-7-22(20)37-3/h4-8,12,16,30H,10-11,14-15,17H2,1-3H3,(H,29,36)(H,28,31,32)
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| InChIKey |
HXUNBLWPPKQBAN-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