General Information of the Compound
| Compound ID |
CP0392244
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| Compound Name |
N-[(1S)-1-(4-butylpyridin-2-yl)-2-cyclohexylethyl]-4-[(diaminomethylideneamino)methyl]benzamide
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| Structure |
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| Formula |
C26H37N5O
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| Molecular Weight |
435.616
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| Canonical SMILES |
CCCCc1ccnc(c1)[C@H](CC1CCCCC1)NC(=O)c1ccc(CNC(N)=N)cc1
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| InChI |
InChI=1S/C26H37N5O/c1-2-3-7-20-14-15-29-23(16-20)24(17-19-8-5-4-6-9-19)31-25(32)22-12-10-21(11-13-22)18-30-26(27)28/h10-16,19,24H,2-9,17-18H2,1H3,(H,31,32)(H4,27,28,30)/t24-/m0/s1
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| InChIKey |
RUBMUAAORXRJMV-DEOSSOPVSA-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