General Information of the Compound
| Compound ID |
CP0493192
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| Compound Name |
US9346786, 85
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| Structure |
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| Formula |
C30H32ClFN4O4
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| Molecular Weight |
567.061
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| Canonical SMILES |
CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)C(=O)C1(CC1)C#N)C(=O)Oc1ccccc1F
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| InChI |
InChI=1S/C30H32ClFN4O4/c1-2-36(29(39)40-26-6-4-3-5-24(26)32)25-18-35(17-23(25)20-7-9-22(31)10-8-20)27(37)21-11-15-34(16-12-21)28(38)30(19-33)13-14-30/h3-10,21,23,25H,2,11-18H2,1H3/t23-,25+/m0/s1
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| InChIKey |
BEKMVRLFONNGOH-UKILVPOCSA-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