General Information of the Compound
| Compound ID |
CP0890387
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| Compound Name |
3-(1H-Indol-3-yl)-N-phenethyl-2-[2-(2-1,2,3,4-tetrahydro-isoquinolin-1-yl-acetylamino)-propionylamino]-propionamide
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| Structure |
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| Formula |
C33H37N5O3
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| Molecular Weight |
551.691
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| Canonical SMILES |
C[C@H](NC(=O)CC1NCCc2ccccc21)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
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| InChI |
InChI=1S/C33H37N5O3/c1-22(37-31(39)20-29-26-12-6-5-11-24(26)16-18-34-29)32(40)38-30(19-25-21-36-28-14-8-7-13-27(25)28)33(41)35-17-15-23-9-3-2-4-10-23/h2-14,21-22,29-30,34,36H,15-20H2,1H3,(H,35,41)(H,37,39)(H,38,40)/t22-,29?,30-/m0/s1
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| InChIKey |
CFKSTPUYLNWQPP-WWFTWHPHSA-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