General Information of the Compound
| Compound ID |
CP0409901
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| Compound Name |
(2R)-3-(1H-indol-3-yl)-N-(2-phenylethyl)-2-[[[2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetyl]amino]carbamoylamino]propanamide
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| Structure |
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| Formula |
C31H34N6O3
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| Molecular Weight |
538.652
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| Canonical SMILES |
O=C(CC1NCCc2ccccc12)NNC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
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| InChI |
InChI=1S/C31H34N6O3/c38-29(19-27-24-11-5-4-10-22(24)15-17-32-27)36-37-31(40)35-28(18-23-20-34-26-13-7-6-12-25(23)26)30(39)33-16-14-21-8-2-1-3-9-21/h1-13,20,27-28,32,34H,14-19H2,(H,33,39)(H,36,38)(H2,35,37,40)/t27?,28-/m1/s1
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| InChIKey |
GMQWNNZLXYAXAF-PLYLYKGUSA-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