General Information of the Compound
| Compound ID |
CP0461250
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| Compound Name |
3-[3-(2,6-Diisopropyl-phenyl)-ureido]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid (1-pyridin-2-yl-cyclopropylmethyl)-amide
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| Structure |
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| Formula |
C35H41N5O2
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| Molecular Weight |
563.746
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| Canonical SMILES |
CC(C)c1cccc(C(C)C)c1NC(=O)NC1(CCc2[nH]c3ccccc3c2C1)C(=O)NCC1(CC1)c1ccccn1
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| InChI |
InChI=1S/C35H41N5O2/c1-22(2)24-11-9-12-25(23(3)4)31(24)39-33(42)40-35(16-15-29-27(20-35)26-10-5-6-13-28(26)38-29)32(41)37-21-34(17-18-34)30-14-7-8-19-36-30/h5-14,19,22-23,38H,15-18,20-21H2,1-4H3,(H,37,41)(H2,39,40,42)
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| InChIKey |
XEWARMMURKZJAG-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