General Information of the Compound
| Compound ID |
CP0488330
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| Compound Name |
US8629158, 46
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| Structure |
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| Formula |
C25H28ClN5O
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| Molecular Weight |
449.986
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| Canonical SMILES |
Cn1c2CC3CCC(N3)c2c2ccc(nc12)N1CCN(CCc2ccc(Cl)cc2)CC1=O
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| InChI |
InChI=1S/C25H28ClN5O/c1-29-21-14-18-6-8-20(27-18)24(21)19-7-9-22(28-25(19)29)31-13-12-30(15-23(31)32)11-10-16-2-4-17(26)5-3-16/h2-5,7,9,18,20,27H,6,8,10-15H2,1H3
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| InChIKey |
TXRGJNZIXYRKON-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