General Information of the Compound
| Compound ID |
CP0892613
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| Compound Name |
SID17515789
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| Structure |
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| Formula |
C18H18ClF2N3OS2
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| Molecular Weight |
429.945
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| Canonical SMILES |
CN(C)CCN(C(=O)/C=C/c1cccs1)c1nc2c(F)cc(F)cc2s1.Cl
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| InChI |
InChI=1S/C18H17F2N3OS2.ClH/c1-22(2)7-8-23(16(24)6-5-13-4-3-9-25-13)18-21-17-14(20)10-12(19)11-15(17)26-18;/h3-6,9-11H,7-8H2,1-2H3;1H/b6-5+;
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| InChIKey |
UPWRACXDBZZPNX-IPZCTEOASA-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