General Information of the Compound
| Compound ID |
CP0048734
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| Compound Name |
4-[4-(2-morpholin-4-ylethoxy)phenyl]spiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-12-one
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| Structure |
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| Formula |
C27H29N5O3
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| Molecular Weight |
471.561
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| Canonical SMILES |
O=C1NC2(CC2)Cc2[nH]c-3c(CCc4cnc(nc-34)-c3ccc(OCCN4CCOCC4)cc3)c12
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| InChI |
InChI=1S/C27H29N5O3/c33-26-22-20-6-3-18-16-28-25(30-23(18)24(20)29-21(22)15-27(31-26)7-8-27)17-1-4-19(5-2-17)35-14-11-32-9-12-34-13-10-32/h1-2,4-5,16,29H,3,6-15H2,(H,31,33)
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| InChIKey |
SMGWSZAEOZOSMS-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