General Information of the Compound
| Compound ID |
CP0095399
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| Compound Name |
3,5-difluoro-N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)pyridin-2-yl]benzamide
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| Structure |
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| Formula |
C23H21F2N5O2
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| Molecular Weight |
437.45
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| Canonical SMILES |
Fc1cc(F)cc(c1)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCCNC1)CNC2=O
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| InChI |
InChI=1S/C23H21F2N5O2/c24-15-6-14(7-16(25)9-15)21(31)30-19-8-13(2-5-27-19)18-10-17-20(29-18)23(12-28-22(17)32)3-1-4-26-11-23/h2,5-10,26,29H,1,3-4,11-12H2,(H,28,32)(H,27,30,31)
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| InChIKey |
DCOPJWXPAYWITJ-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