General Information of the Compound
| Compound ID |
CP0311020
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| Compound Name |
1-[(3R)-1-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]hexan-3-yl]-3-[3-(2-hydroxypropan-2-yl)-5-(1-methyltetrazol-5-yl)phenyl]urea
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| Structure |
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| Formula |
C30H42FN7O2
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| Molecular Weight |
551.711
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| Canonical SMILES |
CCC[C@H](CCN1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(cc(c1)C(C)(C)O)-c1nnnn1C
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| InChI |
InChI=1S/C30H42FN7O2/c1-5-7-26(13-15-38-14-6-8-22(20-38)16-21-9-11-25(31)12-10-21)32-29(39)33-27-18-23(28-34-35-36-37(28)4)17-24(19-27)30(2,3)40/h9-12,17-19,22,26,40H,5-8,13-16,20H2,1-4H3,(H2,32,33,39)/t22-,26+/m0/s1
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| InChIKey |
RECBRJKCPMUFRD-BKMJKUGQSA-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