General Information of the Compound
| Compound ID |
CP0871048
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| Compound Name |
4-[4-({(3R)-3-[(R)-Cyclohexyl(hydroxy)methyl]-1-hexyl-2,5-dioxo-1,4,9-triazaspiro[5.5]undec-9-yl}methyl)phenoxy]-N-methylbenzamide hydrochloride
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| Structure |
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| Formula |
C36H51ClN4O5
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| Molecular Weight |
655.28
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| Canonical SMILES |
CCCCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)NC)cc3)cc1)CC2.Cl
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| InChI |
InChI=1S/C36H50N4O5.ClH/c1-3-4-5-9-22-40-34(43)31(32(41)27-10-7-6-8-11-27)38-35(44)36(40)20-23-39(24-21-36)25-26-12-16-29(17-13-26)45-30-18-14-28(15-19-30)33(42)37-2;/h12-19,27,31-32,41H,3-11,20-25H2,1-2H3,(H,37,42)(H,38,44);1H/t31-,32-;/m1./s1
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| InChIKey |
UMLINPKBOXDTPQ-JOVGIXRXSA-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