General Information of the Compound
| Compound ID |
CP0396350
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| Compound Name |
methyl N-[4-[2-(3-ethylphenyl)-3-fluorophenyl]-4-hydroxy-4-[(3R)-1-(morpholine-2-carbonyl)piperidin-3-yl]butyl]carbamate
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| Structure |
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| Formula |
C30H40FN3O5
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| Molecular Weight |
541.664
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| Canonical SMILES |
CCc1cccc(c1)-c1c(F)cccc1C(O)(CCCNC(=O)OC)[C@@H]1CCCN(C1)C(=O)C1CNCCO1
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| InChI |
InChI=1S/C30H40FN3O5/c1-3-21-8-4-9-22(18-21)27-24(11-5-12-25(27)31)30(37,13-7-14-33-29(36)38-2)23-10-6-16-34(20-23)28(35)26-19-32-15-17-39-26/h4-5,8-9,11-12,18,23,26,32,37H,3,6-7,10,13-17,19-20H2,1-2H3,(H,33,36)/t23-,26?,30?/m1/s1
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| InChIKey |
OHJBZDMXQLCKAS-HTLWMSKYSA-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