General Information of the Compound
| Compound ID |
CP0579879
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| Compound Name |
CHEMBL5192530
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| Formula |
C32H46N4O3
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| Molecular Weight |
534.745
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| Canonical SMILES |
CC(C)NC(=O)Cc1cccc(O[C@H]2CC[C@@H](CC2)C(=O)N(C)c2ccc(CN3CCN[C@@H](C)C3)c(C)c2)c1
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| InChI |
InChI=1S/C32H46N4O3/c1-22(2)34-31(37)19-25-7-6-8-30(18-25)39-29-13-10-26(11-14-29)32(38)35(5)28-12-9-27(23(3)17-28)21-36-16-15-33-24(4)20-36/h6-9,12,17-18,22,24,26,29,33H,10-11,13-16,19-21H2,1-5H3,(H,34,37)/t24-,26-,29-/m0/s1
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| InChIKey |
UNZQIZYYDGBZSR-MIUCGUHXSA-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