General Information of the Compound
| Compound ID |
CP0498462
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| Compound Name |
N'-[3-(2,6-dichloro-4-ethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(oxan-4-yl)ethane-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 |
CCOc1cc(Cl)c(-c2c(C)nn3c(NCCNC4CCOCC4)cc(C)nc23)c(Cl)c1
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| InChI |
InChI=1S/C23H29Cl2N5O2/c1-4-32-17-12-18(24)22(19(25)13-17)21-15(3)29-30-20(11-14(2)28-23(21)30)27-8-7-26-16-5-9-31-10-6-16/h11-13,16,26-27H,4-10H2,1-3H3
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| InChIKey |
KXVKWNPVAHBIOP-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