General Information of the Compound
| Compound ID |
CP0311019
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| Compound Name |
1-[3,5-bis(triazol-1-yl)phenyl]-3-[(2R,4R)-4-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]-4-hydroxybutan-2-yl]urea
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| Structure |
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| Formula |
C27H32FN9O2
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| Molecular Weight |
533.612
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| Canonical SMILES |
C[C@H](C[C@@H](O)N1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(cc(c1)-n1ccnn1)-n1ccnn1
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| InChI |
InChI=1S/C27H32FN9O2/c1-19(13-26(38)35-10-2-3-21(18-35)14-20-4-6-22(28)7-5-20)31-27(39)32-23-15-24(36-11-8-29-33-36)17-25(16-23)37-12-9-30-34-37/h4-9,11-12,15-17,19,21,26,38H,2-3,10,13-14,18H2,1H3,(H2,31,32,39)/t19-,21+,26-/m1/s1
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| InChIKey |
GHILKFUWMODLTJ-BNIKKZEQSA-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