General Information of the Compound
| Compound ID |
CP0491485
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| Compound Name |
US8933079, 7.14
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| Structure |
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| Formula |
C26H29ClN4O4
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| Molecular Weight |
496.995
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| Canonical SMILES |
Cc1cc(CN2CCCC[C@@H]2CO)ccc1C(=O)Cn1ncc(OCc2ccc(Cl)cn2)cc1=O
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| InChI |
InChI=1S/C26H29ClN4O4/c1-18-10-19(14-30-9-3-2-4-22(30)16-32)5-8-24(18)25(33)15-31-26(34)11-23(13-29-31)35-17-21-7-6-20(27)12-28-21/h5-8,10-13,22,32H,2-4,9,14-17H2,1H3/t22-/m1/s1
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| InChIKey |
YKMMCJUGWOEUBO-JOCHJYFZSA-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