General Information of the Compound
| Compound ID |
CP0390913
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| Compound Name |
1-[1-Benzenesulfonyl-4-(4-pyridin-3-yl-phenyl)-piperidin-4-ylmethyl]-3-(2-fluoro-phenyl)-urea
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| Structure |
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| Formula |
C30H29FN4O3S
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| Molecular Weight |
544.652
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| Canonical SMILES |
Fc1ccccc1NC(=O)NCC1(CCN(CC1)S(=O)(=O)c1ccccc1)c1ccc(cc1)-c1cccnc1
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| InChI |
InChI=1S/C30H29FN4O3S/c31-27-10-4-5-11-28(27)34-29(36)33-22-30(25-14-12-23(13-15-25)24-7-6-18-32-21-24)16-19-35(20-17-30)39(37,38)26-8-2-1-3-9-26/h1-15,18,21H,16-17,19-20,22H2,(H2,33,34,36)
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| InChIKey |
PCPGHDBEMKBCPX-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