General Information of the Compound
| Compound ID |
CP0572660
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| Compound Name |
(1R,3S)-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-3-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]cyclohexane-1-carboxamide
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| Structure |
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| Formula |
C22H22F3N5O5
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| Molecular Weight |
493.442
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| Canonical SMILES |
COc1ccc(CNC(=O)[C@@H]2CCC[C@@H](C2)Nc2ccc([N+]([O-])=O)c3nonc23)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C22H22F3N5O5/c1-34-15-6-5-13(16(10-15)22(23,24)25)11-26-21(31)12-3-2-4-14(9-12)27-17-7-8-18(30(32)33)20-19(17)28-35-29-20/h5-8,10,12,14,27H,2-4,9,11H2,1H3,(H,26,31)/t12-,14+/m1/s1
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| InChIKey |
BIKRZBTWBZLWMQ-OCCSQVGLSA-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