General Information of the Compound
| Compound ID |
CP0903069
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| Compound Name |
(S)-N-(1-(5-(4-methoxyquinolin-2-yl)-1H-imidazol-2-yl)-7-oxooctyl)-3-(4-methylpiperazin-1-yl)propanamide
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| Structure |
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| Formula |
C30H42N6O3
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| Molecular Weight |
534.705
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| Canonical SMILES |
CCC(=O)CCCCC[C@H](NC(=O)CCN1CCN(C)CC1)c1ncc(-c2cc(OC)c3ccccc3n2)[nH]1
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| InChI |
InChI=1S/C30H42N6O3/c1-4-22(37)10-6-5-7-13-25(33-29(38)14-15-36-18-16-35(2)17-19-36)30-31-21-27(34-30)26-20-28(39-3)23-11-8-9-12-24(23)32-26/h8-9,11-12,20-21,25H,4-7,10,13-19H2,1-3H3,(H,31,34)(H,33,38)/t25-/m0/s1
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| InChIKey |
LQCSGNNVJRMNMX-VWLOTQADSA-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