General Information of the Compound
| Compound ID |
CP0541951
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| Compound Name |
CHEMBL3394409
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| Formula |
C27H34N4O2
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| Molecular Weight |
446.595
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| Canonical SMILES |
O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cccc(n1)N1CCN(Cc4ccccc4)CC1)C(C3)C2
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| InChI |
InChI=1S/C27H34N4O2/c32-26(29-25-21-13-20-14-22(25)17-27(33,15-20)16-21)23-7-4-8-24(28-23)31-11-9-30(10-12-31)18-19-5-2-1-3-6-19/h1-8,20-22,25,33H,9-18H2,(H,29,32)/t20?,21?,22?,25-,27-
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| InChIKey |
OXQZXTFRINEPJS-XHLVUFGTSA-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