General Information of the Compound
| Compound ID |
CP0105352
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| Compound Name |
3-(4-(7-amino-3-(3-(4-methylpiperazin-1-yl)phenyl)pyrazolo[1,5-a]pyrimidin-6-yl)phenyl)-1-cyclohexyl-1-methylurea
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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 |
CN(C1CCCCC1)C(=O)Nc1ccc(cc1)-c1cnc2c(cnn2c1N)-c1cccc(c1)N1CCN(C)CC1
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| InChI |
InChI=1S/C31H38N8O/c1-36-15-17-38(18-16-36)26-10-6-7-23(19-26)28-21-34-39-29(32)27(20-33-30(28)39)22-11-13-24(14-12-22)35-31(40)37(2)25-8-4-3-5-9-25/h6-7,10-14,19-21,25H,3-5,8-9,15-18,32H2,1-2H3,(H,35,40)
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| InChIKey |
NXCRYXWTLYEUAS-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