General Information of the Compound
| Compound ID |
CP0550974
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| Compound Name |
US8618303, 21
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| Structure |
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| Formula |
C30H35ClFN3O4
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| Molecular Weight |
556.078
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| Canonical SMILES |
CN([C@@H]1CN(C[C@@]1(C)c1ccc(Cl)cc1)C(=O)C1CCN(CC1)C(=O)C1(C)CC1)C(=O)Oc1ccc(F)cc1
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| InChI |
InChI=1S/C30H35ClFN3O4/c1-29(14-15-29)27(37)34-16-12-20(13-17-34)26(36)35-18-25(30(2,19-35)21-4-6-22(31)7-5-21)33(3)28(38)39-24-10-8-23(32)9-11-24/h4-11,20,25H,12-19H2,1-3H3/t25-,30+/m1/s1
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| InChIKey |
SKFXOZIPSPLSBM-RNAHPLFWSA-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