General Information of the Compound
| Compound ID |
CP0479663
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| Compound Name |
US9346786, 104
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| Structure |
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| Formula |
C34H42ClFN4O5
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| Molecular Weight |
641.184
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| Canonical SMILES |
CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)C(=O)C1CCC(=O)N(C1)C(C)C)C(=O)Oc1ccc(F)cc1
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| InChI |
InChI=1S/C34H42ClFN4O5/c1-4-39(34(44)45-28-12-10-27(36)11-13-28)30-21-38(20-29(30)23-5-8-26(35)9-6-23)32(42)24-15-17-37(18-16-24)33(43)25-7-14-31(41)40(19-25)22(2)3/h5-6,8-13,22,24-25,29-30H,4,7,14-21H2,1-3H3/t25?,29-,30+/m0/s1
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| InChIKey |
UWTOGINXIUHVKV-PLQRCOORSA-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