General Information of the Compound
| Compound ID |
CP0070344
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| Compound Name |
1-cyclopropyl-3-[2-[(2S)-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-4-methoxyphenyl]urea
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| Structure |
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| Formula |
C26H32FN3O5
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| Molecular Weight |
485.556
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| Canonical SMILES |
COc1ccc(NC(=O)NC2CC2)c(OC[C@@H](O)CN2CCC3(Cc4cc(F)ccc4O3)CC2)c1
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| InChI |
InChI=1S/C26H32FN3O5/c1-33-21-5-6-22(29-25(32)28-19-3-4-19)24(13-21)34-16-20(31)15-30-10-8-26(9-11-30)14-17-12-18(27)2-7-23(17)35-26/h2,5-7,12-13,19-20,31H,3-4,8-11,14-16H2,1H3,(H2,28,29,32)/t20-/m0/s1
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| InChIKey |
FEODIUOQCJLGCM-FQEVSTJZSA-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