General Information of the Compound
| Compound ID |
CP0509413
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| Compound Name |
CHEMBL481068
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| Formula |
C31H39N3O2
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| Molecular Weight |
485.672
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| Canonical SMILES |
Cc1cccc(C)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)N1CC[C@H](C1)N(Cc1ccccc1)C(=O)C1CC1
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| InChI |
InChI=1S/C31H39N3O2/c1-21-7-6-8-22(2)29(21)31(36)34-25-13-14-26(34)18-28(17-25)32-16-15-27(20-32)33(30(35)24-11-12-24)19-23-9-4-3-5-10-23/h3-10,24-28H,11-20H2,1-2H3/t25-,26+,27-,28-/m1/s1
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| InChIKey |
HLJVPZZJNNJNAJ-JUDWXZBOSA-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