General Information of the Compound
| Compound ID |
CP0773666
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| Compound Name |
(S)-N-(2-(1H-Indazol-5-ylamino)-1-(4-(benzyloxy)phenyl)-2-oxoethyl)hexanamide
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| Structure |
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| Formula |
C28H30N4O3
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| Molecular Weight |
470.573
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| Canonical SMILES |
CCCCCC(=O)N[C@H](C(=O)Nc1ccc2[nH]ncc2c1)c1ccc(OCc2ccccc2)cc1
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| InChI |
InChI=1S/C28H30N4O3/c1-2-3-5-10-26(33)31-27(28(34)30-23-13-16-25-22(17-23)18-29-32-25)21-11-14-24(15-12-21)35-19-20-8-6-4-7-9-20/h4,6-9,11-18,27H,2-3,5,10,19H2,1H3,(H,29,32)(H,30,34)(H,31,33)/t27-/m0/s1
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| InChIKey |
HOGOYGDPWYKOBC-MHZLTWQESA-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