General Information of the Compound
| Compound ID |
CP0423211
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| Compound Name |
N-benzyl-8-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]-N-(2-morpholin-4-ylethoxy)octanamide
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| Structure |
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| Formula |
C28H39N7O3
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| Molecular Weight |
521.666
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| Canonical SMILES |
O=C(CCCCCCCNC(NC#N)=Nc1ccncc1)N(Cc1ccccc1)OCCN1CCOCC1
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| InChI |
InChI=1S/C28H39N7O3/c29-24-32-28(33-26-12-15-30-16-13-26)31-14-8-3-1-2-7-11-27(36)35(23-25-9-5-4-6-10-25)38-22-19-34-17-20-37-21-18-34/h4-6,9-10,12-13,15-16H,1-3,7-8,11,14,17-23H2,(H2,30,31,32,33)
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| InChIKey |
IHVUATFGHBEYDR-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