General Information of the Compound
| Compound ID |
CP0734555
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| Compound Name |
(1s,4r)-N-(4-(4-((1r,3r,5R,7S)-adamantan-2-ylidene(4-hydroxyphenyl)methyl)phenoxy)butyl)-4-(trifluoromethyl)cyclohexanecarboxamide
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| Formula |
C35H42F3NO3
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| Molecular Weight |
581.719
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| Canonical SMILES |
O=C(NCCCCOc1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1)[C@H]1CC[C@H](C(F)(F)F)CC1
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| InChI |
InChI=1S/C35H42F3NO3/c36-35(37,38)29-9-3-26(4-10-29)34(41)39-15-1-2-16-42-31-13-7-25(8-14-31)32(24-5-11-30(40)12-6-24)33-27-18-22-17-23(20-27)21-28(33)19-22/h5-8,11-14,22-23,26-29,40H,1-4,9-10,15-21H2,(H,39,41)/t22?,23?,26-,27?,28?,29-
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| InChIKey |
BDSSSOFJCDIACE-FWIATDPOSA-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