General Information of the Compound
| Compound ID |
CP0877140
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| Compound Name |
SID51085116
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| Structure |
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| Formula |
C27H28F3N3O2S
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| Molecular Weight |
515.601
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| Canonical SMILES |
CCC(C)Sc1cccc(-c2nc3cc(C)ccn3c2NCc2ccccc2)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C25H27N3S.C2HF3O2/c1-4-19(3)29-22-12-8-11-21(16-22)24-25(26-17-20-9-6-5-7-10-20)28-14-13-18(2)15-23(28)27-24;3-2(4,5)1(6)7/h5-16,19,26H,4,17H2,1-3H3;(H,6,7)
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| InChIKey |
HTDRWFVKIVBCER-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: PT06172, Mothers against decapentaplegic homolog 3