General Information of the Compound
| Compound ID |
CP0080969
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| Compound Name |
3,4-dimethyl-N-[4-(1'-methyl-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 |
C26H29N5O2
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| Molecular Weight |
443.551
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| Canonical SMILES |
CN1CCC2(CC1)CNC(=O)c1cc([nH]c21)-c1ccnc(NC(=O)c2ccc(C)c(C)c2)c1
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| InChI |
InChI=1S/C26H29N5O2/c1-16-4-5-19(12-17(16)2)24(32)30-22-13-18(6-9-27-22)21-14-20-23(29-21)26(15-28-25(20)33)7-10-31(3)11-8-26/h4-6,9,12-14,29H,7-8,10-11,15H2,1-3H3,(H,28,33)(H,27,30,32)
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| InChIKey |
OAVAWUCQTZYDRR-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