General Information of the Compound
| Compound ID |
CP0250569
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| Compound Name |
(R)-2'-(2-(6-(3-methoxypropoxy)pyridin-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 |
C24H28N6O3
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| Molecular Weight |
448.527
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| Canonical SMILES |
COCCCOc1ccc(cn1)-c1nccc(n1)-c1cc2c([nH]1)[C@@]1(CCCNC1)CNC2=O
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| InChI |
InChI=1S/C24H28N6O3/c1-32-10-3-11-33-20-5-4-16(13-27-20)22-26-9-6-18(30-22)19-12-17-21(29-19)24(15-28-23(17)31)7-2-8-25-14-24/h4-6,9,12-13,25,29H,2-3,7-8,10-11,14-15H2,1H3,(H,28,31)/t24-/m1/s1
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| InChIKey |
WEUREPGHRFDCFG-XMMPIXPASA-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