General Information of the Compound
| Compound ID |
CP0411288
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| Compound Name |
CHEMBL3394411
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| Formula |
C26H33N5O2
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| Molecular Weight |
447.583
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| Canonical SMILES |
O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cccc(n1)N1CCN(Cc4cccnc4)CC1)C(C3)C2
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| InChI |
InChI=1S/C26H33N5O2/c32-25(29-24-20-11-19-12-21(24)15-26(33,13-19)14-20)22-4-1-5-23(28-22)31-9-7-30(8-10-31)17-18-3-2-6-27-16-18/h1-6,16,19-21,24,33H,7-15,17H2,(H,29,32)/t19?,20?,21?,24-,26-
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| InChIKey |
ZDZCNLLSPCUHPC-LOKNEDJVSA-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