General Information of the Compound
| Compound ID |
CP0530253
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| Compound Name |
3-[3-(2,6-Diisopropyl-phenyl)-ureido]-5-methyl-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 |
C39H49N5O2
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| Molecular Weight |
619.854
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| Canonical SMILES |
CC(C)c1cccc(C(C)C)c1NC(=O)NC1(CCc2[nH]c3cccc(C)c3c2C1)C(=O)NCC1(CCCCC1)c1ccccn1
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| InChI |
InChI=1S/C39H49N5O2/c1-25(2)28-14-12-15-29(26(3)4)35(28)43-37(46)44-39(21-18-31-30(23-39)34-27(5)13-11-16-32(34)42-31)36(45)41-24-38(19-8-6-9-20-38)33-17-7-10-22-40-33/h7,10-17,22,25-26,42H,6,8-9,18-21,23-24H2,1-5H3,(H,41,45)(H2,43,44,46)
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| InChIKey |
WIWNQYPJVDNUBB-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