General Information of the Compound
| Compound ID |
CP0890907
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| Compound Name |
4-[4-({(3R)-3-[(R)-Cyclohexyl(hydroxy)methyl]-1-ethyl-2,5-dioxo-1,4,9-triazaspiro[5.5]undec-9-yl}methyl)phenoxy]-N-methylbenzamidehydrochloride
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| Structure |
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| Formula |
C32H43ClN4O5
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| Molecular Weight |
599.172
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| Canonical SMILES |
CCN1C(=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/C32H42N4O5.ClH/c1-3-36-30(39)27(28(37)23-7-5-4-6-8-23)34-31(40)32(36)17-19-35(20-18-32)21-22-9-13-25(14-10-22)41-26-15-11-24(12-16-26)29(38)33-2;/h9-16,23,27-28,37H,3-8,17-21H2,1-2H3,(H,33,38)(H,34,40);1H/t27-,28-;/m1./s1
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| InChIKey |
JEHLDWLKIRQMSR-LTRMXRMOSA-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