General Information of the Compound
| Compound ID |
CP0064690
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| Compound Name |
1-[(2R,4R)-4-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]-4-hydroxybutan-2-yl]-3-[3-(1-methyltetrazol-5-yl)-5-propan-2-ylphenyl]urea
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| Structure |
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| Formula |
C28H38FN7O2
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| Molecular Weight |
523.657
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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)-c1nnnn1C)C(C)C
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| InChI |
InChI=1S/C28H38FN7O2/c1-18(2)22-14-23(27-32-33-34-35(27)4)16-25(15-22)31-28(38)30-19(3)12-26(37)36-11-5-6-21(17-36)13-20-7-9-24(29)10-8-20/h7-10,14-16,18-19,21,26,37H,5-6,11-13,17H2,1-4H3,(H2,30,31,38)/t19-,21+,26-/m1/s1
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| InChIKey |
VCIAJXLBWJRPBT-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