General Information of the Compound
| Compound ID |
CP0482076
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| Compound Name |
(11R)-5,11,26-trimethyl-7-oxa-4,5,13,20,22,27-hexazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14,16,18,20,24(28),25-nonaen-23-one
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| Structure |
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| Formula |
C24H26N6O2
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| Molecular Weight |
430.512
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| Canonical SMILES |
C[C@@H]1CCCOc2c(cnn2C)-c2cc(cc(C)n2)C(=O)\N=C2/Nc3ccccc3N2C1
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| InChI |
InChI=1S/C24H26N6O2/c1-15-7-6-10-32-23-18(13-25-29(23)3)20-12-17(11-16(2)26-20)22(31)28-24-27-19-8-4-5-9-21(19)30(24)14-15/h4-5,8-9,11-13,15H,6-7,10,14H2,1-3H3,(H,27,28,31)/t15-/m1/s1
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| InChIKey |
KHVDGZRHSTVJLQ-OAHLLOKOSA-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