General Information of the Compound
| Compound ID |
CP0790184
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| Compound Name |
SID863470
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| Formula |
C22H18F4N4O
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| Molecular Weight |
430.405
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| Canonical SMILES |
OC1(c2cccc(C(F)(F)F)c2)CCN(c2[nH]cnc3c4cc(F)ccc4nc2-3)CC1
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| InChI |
InChI=1S/C22H18F4N4O/c23-15-4-5-17-16(11-15)18-19(29-17)20(28-12-27-18)30-8-6-21(31,7-9-30)13-2-1-3-14(10-13)22(24,25)26/h1-5,10-12,31H,6-9H2,(H,27,28)
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| InChIKey |
KLQCMYKIYFHRNL-UHFFFAOYSA-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: PT06101, Latent membrane protein 1