General Information of the Compound
| Compound ID |
CP0517262
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| Compound Name |
7-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]-N-cyclohexyl-N-(2-morpholin-4-ylethoxy)heptanamide
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| Structure |
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| Formula |
C26H41N7O3
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| Molecular Weight |
499.66
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| Canonical SMILES |
O=C(CCCCCCNC(NC#N)=Nc1ccncc1)N(OCCN1CCOCC1)C1CCCCC1
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| InChI |
InChI=1S/C26H41N7O3/c27-22-30-26(31-23-11-14-28-15-12-23)29-13-7-2-1-6-10-25(34)33(24-8-4-3-5-9-24)36-21-18-32-16-19-35-20-17-32/h11-12,14-15,24H,1-10,13,16-21H2,(H2,28,29,30,31)
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| InChIKey |
FKZLJZCHJCPEAD-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