General Information of the Compound
| Compound ID |
CP0223574
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| Compound Name |
US9018214, 188
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| Structure |
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| Formula |
C23H33F2N5O2
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| Molecular Weight |
449.546
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| Canonical SMILES |
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(cc23)C(C)(F)F)[C@@H](CN2CCCC2=O)CN1
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| InChI |
InChI=1S/C23H33F2N5O2/c1-15-11-29(17(10-26-15)12-28-7-5-6-19(28)31)13-20(32)30-14-22(2,3)21-18(30)8-16(9-27-21)23(4,24)25/h8-9,15,17,26H,5-7,10-14H2,1-4H3/t15-,17-/m1/s1
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| InChIKey |
ZWMYITSLGKMQCO-NVXWUHKLSA-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