General Information of the Compound
| Compound ID |
CP0458431
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| Compound Name |
(NE)-N-[6-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene]hydroxylamine
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| Structure |
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| Formula |
C23H21F2N3O2S
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| Molecular Weight |
441.503
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| Canonical SMILES |
O\N=c1/cc(oc2ccc(CCCN3CCC(F)(F)C3)cc12)-c1cc2sccc2cn1
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| InChI |
InChI=1S/C23H21F2N3O2S/c24-23(25)6-8-28(14-23)7-1-2-15-3-4-20-17(10-15)18(27-29)11-21(30-20)19-12-22-16(13-26-19)5-9-31-22/h3-5,9-13,29H,1-2,6-8,14H2/b27-18+
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| InChIKey |
ZXGHOEQCGVSSAA-OVVQPSECSA-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