General Information of the Compound
| Compound ID |
CP0228491
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| Compound Name |
methyl N-[4-[2-(3-ethylphenyl)-3-fluorophenyl]-4-hydroxy-4-[(3R)-1-(piperidine-3-carbonyl)piperidin-3-yl]butyl]carbamate
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| Structure |
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| Formula |
C31H42FN3O4
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| Molecular Weight |
539.692
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| Canonical SMILES |
CCc1cccc(c1)-c1c(F)cccc1C(O)(CCCNC(=O)OC)[C@@H]1CCCN(C1)C(=O)C1CCCNC1
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| InChI |
InChI=1S/C31H42FN3O4/c1-3-22-9-4-10-23(19-22)28-26(13-5-14-27(28)32)31(38,15-8-17-34-30(37)39-2)25-12-7-18-35(21-25)29(36)24-11-6-16-33-20-24/h4-5,9-10,13-14,19,24-25,33,38H,3,6-8,11-12,15-18,20-21H2,1-2H3,(H,34,37)/t24?,25-,31?/m1/s1
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| InChIKey |
XMMRKWFEVZUVSO-JXZUBROBSA-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