General Information of the Compound
| Compound ID |
CP0465615
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| Compound Name |
24-(azetidin-1-yl)-11,21-dimethyl-15-oxa-7,18,21,25,27,28-hexazapentacyclo[24.2.1.02,7.09,14.022,27]nonacosa-1(28),9(14),10,12,22,24,26(29)-heptaene-8,17-dione
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| Formula |
C27H33N7O3
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| Molecular Weight |
503.607
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| Canonical SMILES |
CN1CCNC(=O)COc2ccc(C)cc2C(=O)N2CCCCC2c2cc3nc(cc1n3n2)N1CCC1
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| InChI |
InChI=1S/C27H33N7O3/c1-18-7-8-22-19(14-18)27(36)33-12-4-3-6-21(33)20-15-24-29-23(32-10-5-11-32)16-26(34(24)30-20)31(2)13-9-28-25(35)17-37-22/h7-8,14-16,21H,3-6,9-13,17H2,1-2H3,(H,28,35)
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| InChIKey |
LLKRASBCVFNFJD-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