General Information of the Compound
| Compound ID |
CP0415566
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| Compound Name |
5-(3-{3-[(1-Pyridin-2-yl-cyclohexylmethyl)-carbamoyl]-2,3,4,9-tetrahydro-1H-carbazol-3-yl}-ureido)-isophthalic acid diethyl ester
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| Structure |
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| Formula |
C38H43N5O6
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| Molecular Weight |
665.791
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| Canonical SMILES |
CCOC(=O)c1cc(NC(=O)NC2(CCc3[nH]c4ccccc4c3C2)C(=O)NCC2(CCCCC2)c2ccccn2)cc(c1)C(=O)OCC
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| InChI |
InChI=1S/C38H43N5O6/c1-3-48-33(44)25-20-26(34(45)49-4-2)22-27(21-25)41-36(47)43-38(18-15-31-29(23-38)28-12-6-7-13-30(28)42-31)35(46)40-24-37(16-9-5-10-17-37)32-14-8-11-19-39-32/h6-8,11-14,19-22,42H,3-5,9-10,15-18,23-24H2,1-2H3,(H,40,46)(H2,41,43,47)
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| InChIKey |
UCFBTASYEFRGCK-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