General Information of the Compound
| Compound ID |
CP0268229
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| Compound Name |
N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)pyridin-2-yl]naphthalene-2-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(CCNCC1)CNC2=O)c1ccc2ccccc2c1
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| InChI |
InChI=1S/C27H25N5O2/c33-25(20-6-5-17-3-1-2-4-18(17)13-20)32-23-14-19(7-10-29-23)22-15-21-24(31-22)27(16-30-26(21)34)8-11-28-12-9-27/h1-7,10,13-15,28,31H,8-9,11-12,16H2,(H,30,34)(H,29,32,33)
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| InChIKey |
DWRIDLORHRQUGO-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