General Information of the Compound
| Compound ID |
CP0869632
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| Compound Name |
1-(3a,7a-Dihydro-1H-indol-6-yl)-3-{(1R,2S)-2-[(S)-3-(4-fluoro-benzyl)-piperidin-1-ylmethyl]-cyclohexyl}-urea
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| Structure |
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| Formula |
C28H35FN4O
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| Molecular Weight |
462.613
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| Canonical SMILES |
O=C(Nc1ccc2cc[nH]c2c1)N[C@@H]1CCCC[C@H]1CN1CCC[C@@H](Cc2ccc(F)cc2)C1
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| InChI |
InChI=1S/C28H35FN4O/c29-24-10-7-20(8-11-24)16-21-4-3-15-33(18-21)19-23-5-1-2-6-26(23)32-28(34)31-25-12-9-22-13-14-30-27(22)17-25/h7-14,17,21,23,26,30H,1-6,15-16,18-19H2,(H2,31,32,34)/t21-,23-,26+/m0/s1
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| InChIKey |
JDNGVGOBOUSEST-RZPFDVGOSA-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