General Information of the Compound
| Compound ID |
CP0263817
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| Compound Name |
US8536198, 57
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| Structure |
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| Formula |
C25H31ClN4O3
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| Molecular Weight |
471.001
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| Canonical SMILES |
CC1(C)CN(CC[C@]1(O)c1ccc(Cl)cc1)C(=O)[C@H]1CCCC[C@H]1NC(=O)c1cncnc1
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| InChI |
InChI=1S/C25H31ClN4O3/c1-24(2)15-30(12-11-25(24,33)18-7-9-19(26)10-8-18)23(32)20-5-3-4-6-21(20)29-22(31)17-13-27-16-28-14-17/h7-10,13-14,16,20-21,33H,3-6,11-12,15H2,1-2H3,(H,29,31)/t20-,21+,25-/m0/s1
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| InChIKey |
QRZHERVCGUGAEM-BKSPAHHJSA-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