General Information of the Compound
| Compound ID |
CP0188599
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| Compound Name |
1-[4-[7-(5-methyl-1H-indazol-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one
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| Structure |
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| Formula |
C22H25N7O
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| Molecular Weight |
403.49
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| Canonical SMILES |
Cc1ccc2[nH]ncc2c1N1CCc2c(C1)ncnc2N1CCN(CC1)C(=O)C=C
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| InChI |
InChI=1S/C22H25N7O/c1-3-20(30)27-8-10-28(11-9-27)22-16-6-7-29(13-19(16)23-14-24-22)21-15(2)4-5-18-17(21)12-25-26-18/h3-5,12,14H,1,6-11,13H2,2H3,(H,25,26)
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| InChIKey |
YPUTZWWHKAMVGK-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