General Information of the Compound
| Compound ID |
CP0332147
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| Compound Name |
3,4-dimethyl-N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)pyridin-2-yl]benzamide
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| Structure |
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| Formula |
C25H27N5O2
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| Molecular Weight |
429.524
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| Canonical SMILES |
Cc1ccc(cc1C)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O
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| InChI |
InChI=1S/C25H27N5O2/c1-15-3-4-18(11-16(15)2)23(31)30-21-12-17(5-8-27-21)20-13-19-22(29-20)25(14-28-24(19)32)6-9-26-10-7-25/h3-5,8,11-13,26,29H,6-7,9-10,14H2,1-2H3,(H,28,32)(H,27,30,31)
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| InChIKey |
JLSAYGNBEXSZKV-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