General Information of the Compound
| Compound ID |
CP0902872
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| Compound Name |
4-[4-({(3R)-1-Butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undec-9-yl}methyl)phenoxy]benzenesulfonamide hydrochloride
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| Structure |
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| Formula |
C32H45ClN4O6S
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| Molecular Weight |
649.254
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| Canonical SMILES |
CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(S(N)(=O)=O)cc3)cc1)CC2.Cl
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| InChI |
InChI=1S/C32H44N4O6S.ClH/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-31(39)32(36)17-20-35(21-18-32)22-23-9-11-25(12-10-23)42-26-13-15-27(16-14-26)43(33,40)41;/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,39)(H2,33,40,41);1H/t28-,29-;/m1./s1
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| InChIKey |
NZZFGBQSAXBDFB-PQQSRXGVSA-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