General Information of the Compound
| Compound ID |
CP0165977
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| Compound Name |
1-(4-(7-amino-3-(3-(4-methylpiperazin-1-yl)phenyl)pyrazolo[1,5-a]pyrimidin-6-yl)phenyl)-3-(cyclohexylmethyl)urea
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| Structure |
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| Formula |
C31H38N8O
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| Molecular Weight |
538.7
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| Canonical SMILES |
CN1CCN(CC1)c1cccc(c1)-c1cnn2c(N)c(cnc12)-c1ccc(NC(=O)NCC2CCCCC2)cc1
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| InChI |
InChI=1S/C31H38N8O/c1-37-14-16-38(17-15-37)26-9-5-8-24(18-26)28-21-35-39-29(32)27(20-33-30(28)39)23-10-12-25(13-11-23)36-31(40)34-19-22-6-3-2-4-7-22/h5,8-13,18,20-22H,2-4,6-7,14-17,19,32H2,1H3,(H2,34,36,40)
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| InChIKey |
WYYDKVUNYRLXHX-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