General Information of the Compound
| Compound ID |
CP0555341
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| Compound Name |
US8653100, 42
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| Structure |
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| Formula |
C27H29ClN4O2
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| Molecular Weight |
477.008
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| Canonical SMILES |
Clc1ccc(cc1)C1(CCC1)C1NCCc2ccc(OCCNC(=O)Nc3cccnc3)cc12
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| InChI |
InChI=1S/C27H29ClN4O2/c28-21-7-5-20(6-8-21)27(11-2-12-27)25-24-17-23(9-4-19(24)10-14-30-25)34-16-15-31-26(33)32-22-3-1-13-29-18-22/h1,3-9,13,17-18,25,30H,2,10-12,14-16H2,(H2,31,32,33)
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| InChIKey |
CDNWFNGKEHSJEN-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