General Information of the Compound
| Compound ID |
CP0219252
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| Compound Name |
2-{2-(3,5-Dimethyl-phenyl)-3-[(S)-1-methyl-2-(4-pyridin-4-yl-butylamino)-ethyl]-1H-indol-5-yl}-N,N-diisobutyl-isobutyramide
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| Structure |
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| Formula |
C40H56N4O
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| Molecular Weight |
608.915
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| Canonical SMILES |
CC(C)CN(CC(C)C)C(=O)C(C)(C)c1ccc2[nH]c(c([C@H](C)CNCCCCc3ccncc3)c2c1)-c1cc(C)cc(C)c1
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| InChI |
InChI=1S/C40H56N4O/c1-27(2)25-44(26-28(3)4)39(45)40(8,9)34-13-14-36-35(23-34)37(38(43-36)33-21-29(5)20-30(6)22-33)31(7)24-42-17-11-10-12-32-15-18-41-19-16-32/h13-16,18-23,27-28,31,42-43H,10-12,17,24-26H2,1-9H3/t31-/m1/s1
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| InChIKey |
IAOSIUSNGUBCRR-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