General Information of the Compound
| Compound ID |
CP0271340
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| Compound Name |
4-[5-(2-morpholin-4-ylethoxy)pyridin-3-yl]-5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16)-hexaen-12-one
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| Structure |
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| Formula |
C25H25N5O3
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| Molecular Weight |
443.507
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| Canonical SMILES |
O=C1NCCc2[nH]c3c(ccc4cnc(cc34)-c3cncc(OCCN4CCOCC4)c3)c12
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| InChI |
InChI=1S/C25H25N5O3/c31-25-23-19-2-1-16-14-28-22(12-20(16)24(19)29-21(23)3-4-27-25)17-11-18(15-26-13-17)33-10-7-30-5-8-32-9-6-30/h1-2,11-15,29H,3-10H2,(H,27,31)
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| InChIKey |
RDCWVMUIPUMVKS-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