General Information of the Compound
| Compound ID |
CP0521888
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| Compound Name |
3-[3-(2-Methoxy-phenyl)-ureido]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid (1-pyridin-2-yl-cyclohexylmethyl)-amide
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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 |
COc1ccccc1NC(=O)NC1(CCc2[nH]c3ccccc3c2C1)C(=O)NCC1(CCCCC1)c1ccccn1
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| InChI |
InChI=1S/C33H37N5O3/c1-41-28-14-6-5-13-27(28)37-31(40)38-33(19-16-26-24(21-33)23-11-3-4-12-25(23)36-26)30(39)35-22-32(17-8-2-9-18-32)29-15-7-10-20-34-29/h3-7,10-15,20,36H,2,8-9,16-19,21-22H2,1H3,(H,35,39)(H2,37,38,40)
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| InChIKey |
PGHBHIUFVLDHPT-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