General Information of the Compound
| Compound ID |
CP0520551
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| Compound Name |
US8637501, 53
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| Structure |
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| Formula |
C25H29ClN4O
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| Molecular Weight |
436.987
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| Canonical SMILES |
Cn1c2CCNCCc2c2ccc(cc12)N1CCN(CCc2ccc(Cl)cc2)CC1=O
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| InChI |
InChI=1S/C25H29ClN4O/c1-28-23-9-12-27-11-8-22(23)21-7-6-20(16-24(21)28)30-15-14-29(17-25(30)31)13-10-18-2-4-19(26)5-3-18/h2-7,16,27H,8-15,17H2,1H3
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| InChIKey |
UZIDFLCCYOHIQV-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