General Information of the Compound
| Compound ID |
CP0496531
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| Compound Name |
3-(3-Ethyl-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 |
C28H35N5O2
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| Molecular Weight |
473.621
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| Canonical SMILES |
CCNC(=O)NC1(CCc2[nH]c3ccccc3c2C1)C(=O)NCC1(CCCCC1)c1ccccn1
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| InChI |
InChI=1S/C28H35N5O2/c1-2-29-26(35)33-28(16-13-23-21(18-28)20-10-4-5-11-22(20)32-23)25(34)31-19-27(14-7-3-8-15-27)24-12-6-9-17-30-24/h4-6,9-12,17,32H,2-3,7-8,13-16,18-19H2,1H3,(H,31,34)(H2,29,33,35)
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| InChIKey |
DQEPMDWNMZRPMH-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