General Information of the Compound
| Compound ID |
CP0520330
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| Compound Name |
US8653100, 6
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| Structure |
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| Formula |
C23H27ClN2O2
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| Molecular Weight |
398.934
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| Canonical SMILES |
CC(=O)NCCOc1ccc2CCNC(c2c1)C1(CCC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C23H27ClN2O2/c1-16(27)25-13-14-28-20-8-3-17-9-12-26-22(21(17)15-20)23(10-2-11-23)18-4-6-19(24)7-5-18/h3-8,15,22,26H,2,9-14H2,1H3,(H,25,27)
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| InChIKey |
LCIAXVNSMNPRDL-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