General Information of the Compound
| Compound ID |
CP0531771
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| Compound Name |
US8637501, 76
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| Structure |
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| Formula |
C27H33FN4O
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| Molecular Weight |
448.586
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| Canonical SMILES |
CCN1CCCc2c(C1)c1ccc(cc1n2C)N1CCN(CCc2ccc(F)cc2)CC1=O
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| InChI |
InChI=1S/C27H33FN4O/c1-3-30-13-4-5-25-24(18-30)23-11-10-22(17-26(23)29(25)2)32-16-15-31(19-27(32)33)14-12-20-6-8-21(28)9-7-20/h6-11,17H,3-5,12-16,18-19H2,1-2H3
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| InChIKey |
RORPJICJZRZMGE-UHFFFAOYSA-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