General Information of the Compound
| Compound ID |
CP0483711
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| Compound Name |
US9000184, 8, isomer 2
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| Formula |
C27H30N4O
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| Molecular Weight |
426.564
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| Canonical SMILES |
CO[C@H]1CC[C@]2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cncc(c1)C#CC
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| InChI |
InChI=1S/C27H30N4O/c1-4-5-19-14-22(17-29-16-19)21-7-6-20-8-11-26(12-9-23(32-3)10-13-26)27(24(20)15-21)30-18(2)25(28)31-27/h6-7,14-17,23H,8-13H2,1-3H3,(H2,28,31)/t23-,26-,27?
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| InChIKey |
RMFCYJGEXZDLRL-HAOYJSTOSA-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