General Information of the Compound
| Compound ID |
CP0524086
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| Compound Name |
1-(8-Aza-spiro[4.5]dec-8-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 |
C41H54N4O
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| Molecular Weight |
618.91
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| Canonical SMILES |
C[C@H](CNCCCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CCC2(CCCC2)CC1)-c1cc(C)cc(C)c1
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| InChI |
InChI=1S/C41H54N4O/c1-29-24-30(2)26-33(25-29)38-37(31(3)28-43-19-9-6-10-32-13-20-42-21-14-32)35-27-34(11-12-36(35)44-38)40(4,5)39(46)45-22-17-41(18-23-45)15-7-8-16-41/h11-14,20-21,24-27,31,43-44H,6-10,15-19,22-23,28H2,1-5H3/t31-/m1/s1
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| InChIKey |
AOVBJNVFOOZDSI-WJOKGBTCSA-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