General Information of the Compound
| Compound ID |
CP0431072
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| Compound Name |
3-[3-(2,6-Diisopropyl-phenyl)-ureido]-5-nitro-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 |
C38H46N6O4
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| Molecular Weight |
650.824
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| Canonical SMILES |
CC(C)c1cccc(C(C)C)c1NC(=O)NC1(CCc2[nH]c3cccc([N+]([O-])=O)c3c2C1)C(=O)NCC1(CCCCC1)c1ccccn1
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| InChI |
InChI=1S/C38H46N6O4/c1-24(2)26-12-10-13-27(25(3)4)34(26)42-36(46)43-38(20-17-29-28(22-38)33-30(41-29)14-11-15-31(33)44(47)48)35(45)40-23-37(18-7-5-8-19-37)32-16-6-9-21-39-32/h6,9-16,21,24-25,41H,5,7-8,17-20,22-23H2,1-4H3,(H,40,45)(H2,42,43,46)
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| InChIKey |
NQVLFDYQESLZSG-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