General Information of the Compound
| Compound ID |
CP0920599
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| Compound Name |
US8921559, 45
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| Structure |
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| Formula |
C29H33F2N5O2
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| Molecular Weight |
521.612
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| Canonical SMILES |
NC(=O)C(NC1CCC(c2c[nH]c3cccnc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1
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| InChI |
InChI=1S/C29H33F2N5O2/c30-21-14-18(15-22(31)16-21)3-8-26(37)36-12-9-20(10-13-36)27(29(32)38)35-23-6-4-19(5-7-23)24-17-34-25-2-1-11-33-28(24)25/h1-3,8,11,14-17,19-20,23,27,34-35H,4-7,9-10,12-13H2,(H2,32,38)/b8-3+
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| InChIKey |
IRACULSBLWDHCB-FPYGCLRLSA-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