General Information of the Compound
| Compound ID |
CP0322693
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| Compound Name |
[4-[(4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methoxyphenyl]-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone
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| Structure |
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| Formula |
C24H30N6O3
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| Molecular Weight |
450.543
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| Canonical SMILES |
CCOc1nc(Nc2ccc(cc2OC)C(=O)N2CCC3(CN(C)C3)CC2)nc2[nH]ccc12
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| InChI |
InChI=1S/C24H30N6O3/c1-4-33-21-17-7-10-25-20(17)27-23(28-21)26-18-6-5-16(13-19(18)32-3)22(31)30-11-8-24(9-12-30)14-29(2)15-24/h5-7,10,13H,4,8-9,11-12,14-15H2,1-3H3,(H2,25,26,27,28)
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| InChIKey |
XKTIZOAXSZOWSA-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