General Information of the Compound
| Compound ID |
CP0501500
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| Compound Name |
N-[2-[[(2R)-1-[3-(dibutylamino)propylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]-1,3-dihydroinden-2-yl]-1-benzothiophene-2-carboxamide
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| Structure |
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| Formula |
C39H48N4O3S
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| Molecular Weight |
652.905
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| Canonical SMILES |
CCCCN(CCCC)CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(Cc2ccccc2C1)NC(=O)c1cc2ccccc2s1
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| InChI |
InChI=1S/C39H48N4O3S/c1-3-5-22-43(23-6-4-2)24-14-21-40-36(44)33(25-29-15-8-7-9-16-29)41-38(46)39(27-31-18-10-11-19-32(31)28-39)42-37(45)35-26-30-17-12-13-20-34(30)47-35/h7-13,15-20,26,33H,3-6,14,21-25,27-28H2,1-2H3,(H,40,44)(H,41,46)(H,42,45)/t33-/m1/s1
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| InChIKey |
LNCSKIVFDGRAQA-MGBGTMOVSA-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