General Information of the Compound
| Compound ID |
CP0503221
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| Compound Name |
1-N-[3-(2,6-dichloro-4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-2-methyl-2-N-(oxan-4-yl)propane-1,2-diamine
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| Structure |
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| Formula |
C24H31Cl2N5O2
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| Molecular Weight |
492.451
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| Canonical SMILES |
COc1cc(Cl)c(-c2c(C)nn3c(NCC(C)(C)NC4CCOCC4)cc(C)nc23)c(Cl)c1
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| InChI |
InChI=1S/C24H31Cl2N5O2/c1-14-10-20(27-13-24(3,4)29-16-6-8-33-9-7-16)31-23(28-14)21(15(2)30-31)22-18(25)11-17(32-5)12-19(22)26/h10-12,16,27,29H,6-9,13H2,1-5H3
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| InChIKey |
ATUVDIADSMQSEJ-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