General Information of the Compound
| Compound ID |
CP0380791
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| Compound Name |
3-(3-Cyclohexyl-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 |
C32H41N5O2
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| Molecular Weight |
527.713
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| Canonical SMILES |
O=C(NC1CCCCC1)NC1(CCc2[nH]c3ccccc3c2C1)C(=O)NCC1(CCCCC1)c1ccccn1
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| InChI |
InChI=1S/C32H41N5O2/c38-29(34-22-31(17-8-2-9-18-31)28-15-7-10-20-33-28)32(37-30(39)35-23-11-3-1-4-12-23)19-16-27-25(21-32)24-13-5-6-14-26(24)36-27/h5-7,10,13-15,20,23,36H,1-4,8-9,11-12,16-19,21-22H2,(H,34,38)(H2,35,37,39)
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| InChIKey |
YCMAYORWZXSSKF-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