General Information of the Compound
| Compound ID |
CP0327922
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| Compound Name |
1-(1R,4S)-2-Aza-bicyclo[2.2.1]hept-2-yl-2-{2-(3,5-dimethyl-phenyl)-3-[(S)-1-methyl-2-(4-pyridin-4-yl-butylamino)-ethyl]-1H-indol-5-yl}-2-methyl-propan-1-one
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| Structure |
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| Formula |
C38H48N4O
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| Molecular Weight |
576.829
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| Canonical SMILES |
C[C@H](CNCCCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C[C@H]2CC[C@@H]1C2)-c1cc(C)cc(C)c1
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| InChI |
InChI=1S/C38H48N4O/c1-25-18-26(2)20-30(19-25)36-35(27(3)23-40-15-7-6-8-28-13-16-39-17-14-28)33-22-31(10-12-34(33)41-36)38(4,5)37(43)42-24-29-9-11-32(42)21-29/h10,12-14,16-20,22,27,29,32,40-41H,6-9,11,15,21,23-24H2,1-5H3/t27-,29+,32-/m1/s1
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| InChIKey |
ISCMQUQGLIDHBV-LFWISAHLSA-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