General Information of the Compound
| Compound ID |
CP0452798
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| Compound Name |
CHEMBL257728
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| Formula |
C30H40N6O
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| Molecular Weight |
500.691
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| Canonical SMILES |
CC(C)c1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)Nc1cccc(C)c1)c1ccccc1
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| InChI |
InChI=1S/C30H40N6O/c1-21(2)29-33-32-23(4)36(29)28-19-26-14-15-27(20-28)34(26)16-9-17-35(25-12-6-5-7-13-25)30(37)31-24-11-8-10-22(3)18-24/h5-8,10-13,18,21,26-28H,9,14-17,19-20H2,1-4H3,(H,31,37)/t26-,27+,28+
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| InChIKey |
FKCAMFNRBHONBH-KUMHGWDASA-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