General Information of the Compound
| Compound ID |
CP0561673
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| Compound Name |
US9469631, 81
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| Structure |
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| Formula |
C29H33ClN4O3
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| Molecular Weight |
521.061
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(c(Cl)c1)-n1cnc(c1)-c1ccccc1
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| InChI |
InChI=1S/C29H33ClN4O3/c1-29(2,3)37-28(36)32-15-13-23(14-16-32)34(22-10-11-22)27(35)21-9-12-26(24(30)17-21)33-18-25(31-19-33)20-7-5-4-6-8-20/h4-9,12,17-19,22-23H,10-11,13-16H2,1-3H3
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| InChIKey |
RAHMXBXOVHEVNO-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