General Information of the Compound
| Compound ID |
CP0379699
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| Compound Name |
CHEMBL3126049
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| Formula |
C23H26F2N4O2
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| Molecular Weight |
428.483
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| Canonical SMILES |
CN1CCCN([C@H]2CC[C@H](CC2)C(=O)Nc2ccc(cn2)-c2cc(F)cc(F)c2)C1=O
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| InChI |
InChI=1S/C23H26F2N4O2/c1-28-9-2-10-29(23(28)31)20-6-3-15(4-7-20)22(30)27-21-8-5-16(14-26-21)17-11-18(24)13-19(25)12-17/h5,8,11-15,20H,2-4,6-7,9-10H2,1H3,(H,26,27,30)/t15-,20+
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| InChIKey |
JOECNFGHVAPEGS-GSXCWMCISA-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