General Information of the Compound
| Compound ID |
CP0663417
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| Compound Name |
SID17503792
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| Structure |
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| Formula |
C31H32FN3O5
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| Molecular Weight |
545.611
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| Canonical SMILES |
COc1ccc(C(=O)/C=C/C(=O)N(Cc2ccc(F)cc2)C(C(=O)NC2CCCCC2)c2ccncc2)c(O)c1
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| InChI |
InChI=1S/C31H32FN3O5/c1-40-25-11-12-26(28(37)19-25)27(36)13-14-29(38)35(20-21-7-9-23(32)10-8-21)30(22-15-17-33-18-16-22)31(39)34-24-5-3-2-4-6-24/h7-19,24,30,37H,2-6,20H2,1H3,(H,34,39)/b14-13+
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| InChIKey |
RMTUZPCGMLLXJI-BUHFOSPRSA-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