General Information of the Compound
| Compound ID |
CP0555791
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| Compound Name |
N-benzyl-7-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]-N-cyclohexyloxyheptanamide
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| Structure |
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| Formula |
C27H36N6O2
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| Molecular Weight |
476.625
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| Canonical SMILES |
O=C(CCCCCCNC(NC#N)=Nc1ccncc1)N(Cc1ccccc1)OC1CCCCC1
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| InChI |
InChI=1S/C27H36N6O2/c28-22-31-27(32-24-16-19-29-20-17-24)30-18-10-2-1-9-15-26(34)33(21-23-11-5-3-6-12-23)35-25-13-7-4-8-14-25/h3,5-6,11-12,16-17,19-20,25H,1-2,4,7-10,13-15,18,21H2,(H2,29,30,31,32)
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| InChIKey |
AMJCSOKUOYOFMD-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