General Information of the Compound
| Compound ID |
CP0196863
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| Compound Name |
1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimethyl-phenyl)-3-[(S)-1-methyl-2-(2-pyridin-4-yl-ethylamino)-ethyl]-1H-indol-5-yl}-2-methyl-propan-1-one
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| Structure |
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| Formula |
C36H44N4O
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| Molecular Weight |
548.775
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| Canonical SMILES |
C[C@H](CNCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1
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| InChI |
InChI=1S/C36H44N4O/c1-23-18-24(2)20-27(19-23)34-33(25(3)22-38-17-14-26-12-15-37-16-13-26)31-21-28(6-11-32(31)39-34)36(4,5)35(41)40-29-7-8-30(40)10-9-29/h6,11-13,15-16,18-21,25,29-30,38-39H,7-10,14,17,22H2,1-5H3/t25-,29?,30?/m1/s1
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| InChIKey |
ZZSZUFBTCXQQAJ-WDEPAJCISA-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