General Information of the Compound
| Compound ID |
CP0241914
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| Compound Name |
(R)-2'-(2-(5-methoxypyridin-3-yl)pyrimidin-4-yl)-5',6'-dihydrospiro[piperidine-3,7'-pyrrolo[3,2-c]pyridin]-4'(1'H)-one
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| Structure |
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| Formula |
C21H22N6O2
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| Molecular Weight |
390.447
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| Canonical SMILES |
COc1cncc(c1)-c1nccc(n1)-c1cc2c([nH]1)[C@@]1(CCCNC1)CNC2=O
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| InChI |
InChI=1S/C21H22N6O2/c1-29-14-7-13(9-23-10-14)19-24-6-3-16(27-19)17-8-15-18(26-17)21(12-25-20(15)28)4-2-5-22-11-21/h3,6-10,22,26H,2,4-5,11-12H2,1H3,(H,25,28)/t21-/m1/s1
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| InChIKey |
IIJWQBDPICTUBI-OAQYLSRUSA-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