General Information of the Compound
| Compound ID |
CP0165979
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| Compound Name |
1-(4-(7-amino-3-(4-(4-methylpiperazin-1-yl)phenyl)pyrazolo[1,5-a]pyrimidin-6-yl)phenyl)-3-(2-chlorophenyl)urea
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| Structure |
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| Formula |
C30H29ClN8O
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| Molecular Weight |
553.07
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(cc1)-c1cnn2c(N)c(cnc12)-c1ccc(NC(=O)Nc2ccccc2Cl)cc1
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| InChI |
InChI=1S/C30H29ClN8O/c1-37-14-16-38(17-15-37)23-12-8-21(9-13-23)25-19-34-39-28(32)24(18-33-29(25)39)20-6-10-22(11-7-20)35-30(40)36-27-5-3-2-4-26(27)31/h2-13,18-19H,14-17,32H2,1H3,(H2,35,36,40)
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| InChIKey |
MXPLPMSWGMUSSK-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