General Information of the Compound
| Compound ID |
CP0528941
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| Compound Name |
3-[3-(2,6-Diisopropyl-phenyl)-ureido]-4,7-difluoro-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 |
C38H45F2N5O2
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| Molecular Weight |
641.807
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| Canonical SMILES |
CC(C)c1cccc(C(C)C)c1NC(=O)NC1(CCc2[nH]c3cc(F)ccc3c2C1F)C(=O)NCC1(CCCCC1)c1ccccn1
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| InChI |
InChI=1S/C38H45F2N5O2/c1-23(2)26-11-10-12-27(24(3)4)33(26)44-36(47)45-38(19-16-29-32(34(38)40)28-15-14-25(39)21-30(28)43-29)35(46)42-22-37(17-7-5-8-18-37)31-13-6-9-20-41-31/h6,9-15,20-21,23-24,34,43H,5,7-8,16-19,22H2,1-4H3,(H,42,46)(H2,44,45,47)
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| InChIKey |
WQEIMXLYYCJJQH-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