General Information of the Compound
| Compound ID |
CP0085235
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| Compound Name |
N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)pyridin-2-yl]naphthalene-1-carboxamide
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| Structure |
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| Formula |
C27H25N5O2
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| Molecular Weight |
451.53
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| Canonical SMILES |
O=C(Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCCNC1)CNC2=O)c1cccc2ccccc12
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| InChI |
InChI=1S/C27H25N5O2/c33-25-21-14-22(31-24(21)27(16-30-25)10-4-11-28-15-27)18-9-12-29-23(13-18)32-26(34)20-8-3-6-17-5-1-2-7-19(17)20/h1-3,5-9,12-14,28,31H,4,10-11,15-16H2,(H,30,33)(H,29,32,34)
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| InChIKey |
BQTRFPKZTXCUPV-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