General Information of the Compound
| Compound ID |
CP0919404
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| Compound Name |
4-{[(3S)-1-Butyl-3-(cyclohexylmethyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undec-9-yl]methyl}-N-phenylbenzamide hydrochloride
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| Structure |
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| Formula |
C33H45ClN4O3
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| Molecular Weight |
581.201
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| Canonical SMILES |
CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(C(=O)Nc3ccccc3)cc1)CC2.Cl
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| InChI |
InChI=1S/C33H44N4O3.ClH/c1-2-3-20-37-31(39)29(23-25-10-6-4-7-11-25)35-32(40)33(37)18-21-36(22-19-33)24-26-14-16-27(17-15-26)30(38)34-28-12-8-5-9-13-28;/h5,8-9,12-17,25,29H,2-4,6-7,10-11,18-24H2,1H3,(H,34,38)(H,35,40);1H/t29-;/m0./s1
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| InChIKey |
WJNBDBJRHIBKDQ-JMAPEOGHSA-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