General Information of the Compound
| Compound ID |
CP0875901
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| Compound Name |
SID87336745
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| Structure |
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| Formula |
C31H32ClF3N4O4
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| Molecular Weight |
617.068
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| Canonical SMILES |
C[C@]12c3[nH]c4ccc(Cl)cc4c3CCN1C(=O)[C@@H](CC(=O)NCc1cccc(C(F)(F)F)c1)C[C@@H]2C(=O)N1CCOCC1
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| InChI |
InChI=1S/C31H32ClF3N4O4/c1-30-24(29(42)38-9-11-43-12-10-38)14-19(15-26(40)36-17-18-3-2-4-20(13-18)31(33,34)35)28(41)39(30)8-7-22-23-16-21(32)5-6-25(23)37-27(22)30/h2-6,13,16,19,24,37H,7-12,14-15,17H2,1H3,(H,36,40)/t19-,24-,30+/m1/s1
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| InChIKey |
KGRPMKOMMDVDLL-OKHRZSFNSA-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