General Information of the Compound
| Compound ID |
CP0555792
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| Compound Name |
7-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]-N-cyclohexyloxyheptanamide
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| Structure |
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| Formula |
C20H30N6O2
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| Molecular Weight |
386.5
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| Canonical SMILES |
O=C(CCCCCCNC(NC#N)=Nc1ccncc1)NOC1CCCCC1
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| InChI |
InChI=1S/C20H30N6O2/c21-16-24-20(25-17-11-14-22-15-12-17)23-13-7-2-1-6-10-19(27)26-28-18-8-4-3-5-9-18/h11-12,14-15,18H,1-10,13H2,(H,26,27)(H2,22,23,24,25)
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| InChIKey |
VCNYSEPIVAUHHV-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