General Information of the Compound
| Compound ID |
CP0458424
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| Compound Name |
(NE)-N-[6-[3-(2-methylpyridin-4-yl)propoxy]-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine
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| Structure |
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| Formula |
C25H22N4O3
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| Molecular Weight |
426.476
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| Canonical SMILES |
Cc1cc(CCCOc2ccc3oc(c\c(=N/O)c3c2)-c2cc3cccn3cn2)ccn1
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| InChI |
InChI=1S/C25H22N4O3/c1-17-12-18(8-9-26-17)4-3-11-31-20-6-7-24-21(14-20)22(28-30)15-25(32-24)23-13-19-5-2-10-29(19)16-27-23/h2,5-10,12-16,30H,3-4,11H2,1H3/b28-22+
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| InChIKey |
VSOCOTWHUMRARV-XAYXJRQQSA-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