General Information of the Compound
| Compound ID |
CP0539016
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| Compound Name |
(NE)-N-[6-(3-pyridin-3-ylpropoxy)-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine
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| Structure |
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| Formula |
C24H20N4O3
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| Molecular Weight |
412.449
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| Canonical SMILES |
O\N=c1/cc(oc2ccc(OCCCc3cccnc3)cc12)-c1cc2cccn2cn1
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| InChI |
InChI=1S/C24H20N4O3/c29-27-21-14-24(22-12-18-6-2-10-28(18)16-26-22)31-23-8-7-19(13-20(21)23)30-11-3-5-17-4-1-9-25-15-17/h1-2,4,6-10,12-16,29H,3,5,11H2/b27-21+
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| InChIKey |
RBOGQPFUPOSUGQ-SZXQPVLSSA-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