General Information of the Compound
| Compound ID |
CP0540034
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| Compound Name |
US9346786, 7
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| Structure |
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| Formula |
C30H30ClFN6O3
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| Molecular Weight |
577.06
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| Canonical SMILES |
CCN([C@H]1CN(C[C@@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)c1ncc(cn1)C#N)C(=O)Oc1ccc(F)cc1
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| InChI |
InChI=1S/C30H30ClFN6O3/c1-2-38(30(40)41-25-9-7-24(32)8-10-25)27-19-37(18-26(27)21-3-5-23(31)6-4-21)28(39)22-11-13-36(14-12-22)29-34-16-20(15-33)17-35-29/h3-10,16-17,22,26-27H,2,11-14,18-19H2,1H3/t26-,27+/m1/s1
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| InChIKey |
VNEMSCQNDVSZEJ-SXOMAYOGSA-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