General Information of the Compound
| Compound ID |
CP0262878
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| Compound Name |
1'-methyl-4-[4-(2-morpholin-4-ylethoxy)phenyl]spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,3'-azetidine]-12-one
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| Structure |
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| Formula |
C29H33N5O3
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| Molecular Weight |
499.615
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| Canonical SMILES |
CN1CC2(C1)CNC(=O)c1c3CCc4cnc(cc4-c3[nH]c21)-c1ccc(OCCN2CCOCC2)cc1
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| InChI |
InChI=1S/C29H33N5O3/c1-33-17-29(18-33)16-31-28(35)25-22-7-4-20-15-30-24(14-23(20)26(22)32-27(25)29)19-2-5-21(6-3-19)37-13-10-34-8-11-36-12-9-34/h2-3,5-6,14-15,32H,4,7-13,16-18H2,1H3,(H,31,35)
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| InChIKey |
KHZSCWAZHGMNRI-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