General Information of the Compound
| Compound ID |
CP0546253
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| Compound Name |
(NE)-N-[6-[(3R)-1-pyrimidin-4-ylpyrrolidin-3-yl]oxy-2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene]hydroxylamine
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| Structure |
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| Formula |
C24H19N5O3S
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| Molecular Weight |
457.515
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| Canonical SMILES |
O\N=c1/cc(oc2ccc(O[C@@H]3CCN(C3)c3ccncn3)cc12)-c1cc2sccc2cn1
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| InChI |
InChI=1S/C24H19N5O3S/c30-28-19-10-22(20-11-23-15(12-26-20)5-8-33-23)32-21-2-1-16(9-18(19)21)31-17-4-7-29(13-17)24-3-6-25-14-27-24/h1-3,5-6,8-12,14,17,30H,4,7,13H2/b28-19+/t17-/m1/s1
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| InChIKey |
ZLAIPCWKCFQTCK-POCIFRJJSA-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