General Information of the Compound
| Compound ID |
CP0843536
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| Compound Name |
SID22408552
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| Structure |
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| Formula |
C18H14F2N4O4S
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| Molecular Weight |
420.397
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| Canonical SMILES |
O=C(NCCN1C(=O)S/C(=C\c2ccc(OC(F)F)cc2)C1=O)c1cnccn1
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| InChI |
InChI=1S/C18H14F2N4O4S/c19-17(20)28-12-3-1-11(2-4-12)9-14-16(26)24(18(27)29-14)8-7-23-15(25)13-10-21-5-6-22-13/h1-6,9-10,17H,7-8H2,(H,23,25)/b14-9-
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| InChIKey |
VRTCQXKYQKJIHG-ZROIWOOFSA-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8