General Information of the Compound
| Compound ID |
CP0196914
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| Compound Name |
4-(2-{2-(3,5-Dimethyl-phenyl)-3-[(S)-1-methyl-2-(4-pyridin-4-yl-butylamino)-ethyl]-1H-indol-5-yl}-2-methyl-propionyl)-piperazine-1-carboxylic acid tert-butyl ester
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| Structure |
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| Formula |
C41H55N5O3
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| Molecular Weight |
665.923
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| Canonical SMILES |
C[C@H](CNCCCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CCN(CC1)C(=O)OC(C)(C)C)-c1cc(C)cc(C)c1
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| InChI |
InChI=1S/C41H55N5O3/c1-28-23-29(2)25-32(24-28)37-36(30(3)27-43-16-10-9-11-31-14-17-42-18-15-31)34-26-33(12-13-35(34)44-37)41(7,8)38(47)45-19-21-46(22-20-45)39(48)49-40(4,5)6/h12-15,17-18,23-26,30,43-44H,9-11,16,19-22,27H2,1-8H3/t30-/m1/s1
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| InChIKey |
YRQYJAAMCSTHMK-SSEXGKCCSA-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