General Information of the Compound
| Compound ID |
CP0521889
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| Compound Name |
3-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 |
C26H31N5O2
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| Molecular Weight |
445.567
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| Canonical SMILES |
NC(=O)NC1(CCc2[nH]c3ccccc3c2C1)C(=O)NCC1(CCCCC1)c1ccccn1
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| InChI |
InChI=1S/C26H31N5O2/c27-24(33)31-26(14-11-21-19(16-26)18-8-2-3-9-20(18)30-21)23(32)29-17-25(12-5-1-6-13-25)22-10-4-7-15-28-22/h2-4,7-10,15,30H,1,5-6,11-14,16-17H2,(H,29,32)(H3,27,31,33)
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| InChIKey |
IRZSOKYFEOAUAC-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