General Information of the Compound
| Compound ID |
CP0499746
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| Compound Name |
N'-[3-(2,6-dichloro-4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2,2-difluoroethyl)ethane-1,2-diamine
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| Structure |
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| Formula |
C19H21Cl2F2N5O
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| Molecular Weight |
444.313
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| Canonical SMILES |
COc1cc(Cl)c(-c2c(C)nn3c(NCCNCC(F)F)cc(C)nc23)c(Cl)c1
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| InChI |
InChI=1S/C19H21Cl2F2N5O/c1-10-6-16(25-5-4-24-9-15(22)23)28-19(26-10)17(11(2)27-28)18-13(20)7-12(29-3)8-14(18)21/h6-8,15,24-25H,4-5,9H2,1-3H3
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| InChIKey |
WMZIEOXBMBZGQD-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