General Information of the Compound
| Compound ID |
CP0256294
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| Compound Name |
2-{2-(3,5-Dimethyl-phenyl)-3-[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 |
C39H54N4O
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| Molecular Weight |
594.888
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| Canonical SMILES |
CC(C)CN(CC(C)C)C(=O)C(C)(C)c1ccc2[nH]c(c(CCNCCCCc3ccncc3)c2c1)-c1cc(C)cc(C)c1
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| InChI |
InChI=1S/C39H54N4O/c1-27(2)25-43(26-28(3)4)38(44)39(7,8)33-12-13-36-35(24-33)34(37(42-36)32-22-29(5)21-30(6)23-32)16-20-40-17-10-9-11-31-14-18-41-19-15-31/h12-15,18-19,21-24,27-28,40,42H,9-11,16-17,20,25-26H2,1-8H3
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| InChIKey |
QTIPPFPEAGDDJZ-UHFFFAOYSA-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