General Information of the Compound
| Compound ID |
CP0472841
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| Compound Name |
4-(9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-9-ylmethyl)-N-hydroxybenzamide;2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C23H22F3N3O4
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| Molecular Weight |
461.44
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| Canonical SMILES |
OC(=O)C(F)(F)F.ONC(=O)c1ccc(Cn2c3CN4CCC(C4)c3c3ccccc23)cc1
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| InChI |
InChI=1S/C21H21N3O2.C2HF3O2/c25-21(22-26)15-7-5-14(6-8-15)11-24-18-4-2-1-3-17(18)20-16-9-10-23(12-16)13-19(20)24;3-2(4,5)1(6)7/h1-8,16,26H,9-13H2,(H,22,25);(H,6,7)
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| InChIKey |
QCDLGHQIVIYWPZ-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