General Information of the Compound
| Compound ID |
CP0918697
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| Compound Name |
(3S)-1-Butyl-3-(cyclohexylmethyl)-9-[2-(4-phenoxyphenyl)ethyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride
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| Structure |
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| Formula |
C33H46ClN3O3
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| Molecular Weight |
568.202
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| Canonical SMILES |
CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(CCc1ccc(Oc3ccccc3)cc1)CC2.Cl
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| InChI |
InChI=1S/C33H45N3O3.ClH/c1-2-3-21-36-31(37)30(25-27-10-6-4-7-11-27)34-32(38)33(36)19-23-35(24-20-33)22-18-26-14-16-29(17-15-26)39-28-12-8-5-9-13-28;/h5,8-9,12-17,27,30H,2-4,6-7,10-11,18-25H2,1H3,(H,34,38);1H/t30-;/m0./s1
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| InChIKey |
IDVLPYXBDIRUTO-CZCBIWLKSA-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