General Information of the Compound
| Compound ID |
CP0297522
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| Compound Name |
4-[5-(2-morpholin-4-ylethoxy)pyridin-3-yl]-5,13,18-triazatetracyclo[8.8.0.02,7.011,17]octadeca-1(10),2,4,6,8,11(17)-hexaen-12-one
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| Structure |
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| Formula |
C26H27N5O3
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| Molecular Weight |
457.534
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| Canonical SMILES |
O=C1NCCCc2[nH]c3c(ccc4cnc(cc34)-c3cncc(OCCN4CCOCC4)c3)c12
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| InChI |
InChI=1S/C26H27N5O3/c32-26-24-20-4-3-17-15-29-23(13-21(17)25(20)30-22(24)2-1-5-28-26)18-12-19(16-27-14-18)34-11-8-31-6-9-33-10-7-31/h3-4,12-16,30H,1-2,5-11H2,(H,28,32)
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| InChIKey |
CVHRTBVPRJVKQP-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