General Information of the Compound
| Compound ID |
CP0510750
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| Compound Name |
1-((2R,3S)-4-((cyclopropylmethyl)(3-(4-fluorophenyl)propyl)amino)-3-hydroxybutan-2-yl)-3-(3-ethyl-5-(1-methyl-1H-tetrazol-5-yl)phenyl)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 |
CCc1cc(NC(=O)N[C@H](C)[C@@H](O)CN(CCCc2ccc(F)cc2)CC2CC2)cc(c1)-c1nnnn1C
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| InChI |
InChI=1S/C28H38FN7O2/c1-4-20-14-23(27-32-33-34-35(27)3)16-25(15-20)31-28(38)30-19(2)26(37)18-36(17-22-7-8-22)13-5-6-21-9-11-24(29)12-10-21/h9-12,14-16,19,22,26,37H,4-8,13,17-18H2,1-3H3,(H2,30,31,38)/t19-,26+/m1/s1
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| InChIKey |
JBSFMYIPFYTPEY-BCHFMIIMSA-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