General Information of the Compound
| Compound ID |
CP0532729
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| Compound Name |
3-[3-(2,6-Dimethyl-phenyl)-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 |
C34H39N5O2
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| Molecular Weight |
549.719
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| Canonical SMILES |
Cc1cccc(C)c1NC(=O)NC1(CCc2[nH]c3ccccc3c2C1)C(=O)NCC1(CCCCC1)c1ccccn1
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| InChI |
InChI=1S/C34H39N5O2/c1-23-11-10-12-24(2)30(23)38-32(41)39-34(19-16-28-26(21-34)25-13-4-5-14-27(25)37-28)31(40)36-22-33(17-7-3-8-18-33)29-15-6-9-20-35-29/h4-6,9-15,20,37H,3,7-8,16-19,21-22H2,1-2H3,(H,36,40)(H2,38,39,41)
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| InChIKey |
CILYWPVHRFRVQX-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