General Information of the Compound
| Compound ID |
CP0504630
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| Compound Name |
1-N-[3-(2,6-dichloro-4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-2-N-(oxan-4-yl)propane-1,2-diamine
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| Structure |
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| Formula |
C23H29Cl2N5O2
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| Molecular Weight |
478.424
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| Canonical SMILES |
COc1cc(Cl)c(-c2c(C)nn3c(NCC(C)NC4CCOCC4)cc(C)nc23)c(Cl)c1
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| InChI |
InChI=1S/C23H29Cl2N5O2/c1-13-9-20(26-12-14(2)27-16-5-7-32-8-6-16)30-23(28-13)21(15(3)29-30)22-18(24)10-17(31-4)11-19(22)25/h9-11,14,16,26-27H,5-8,12H2,1-4H3
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| InChIKey |
LFQHATSISOZURQ-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