General Information of the Compound
| Compound ID |
CP0095398
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| Compound Name |
3,4-dimethyl-N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)pyridin-2-yl]benzamide
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| Structure |
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| Formula |
C24H25N5O2
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| Molecular Weight |
415.497
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| Canonical SMILES |
Cc1ccc(cc1C)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNC1)CNC2=O
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| InChI |
InChI=1S/C24H25N5O2/c1-14-3-4-17(9-15(14)2)22(30)29-20-10-16(5-7-26-20)19-11-18-21(28-19)24(6-8-25-12-24)13-27-23(18)31/h3-5,7,9-11,25,28H,6,8,12-13H2,1-2H3,(H,27,31)(H,26,29,30)
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| InChIKey |
SWTKULKSQOJRAV-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