General Information of the Compound
| Compound ID |
CP0888356
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| Compound Name |
4-[4-({(3R)-3-[(R)-Cyclohexyl(hydroxy)methyl]-2,5-dioxo-1-pentyl-1,4,9-triazaspiro[5.5]undec-9-yl}methyl)phenoxy]-N-methylbenzamide hydrochloride
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| Structure |
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| Formula |
C35H49ClN4O5
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| Molecular Weight |
641.253
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| Canonical SMILES |
CCCCCN1C(=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/C35H48N4O5.ClH/c1-3-4-8-21-39-33(42)30(31(40)26-9-6-5-7-10-26)37-34(43)35(39)19-22-38(23-20-35)24-25-11-15-28(16-12-25)44-29-17-13-27(14-18-29)32(41)36-2;/h11-18,26,30-31,40H,3-10,19-24H2,1-2H3,(H,36,41)(H,37,43);1H/t30-,31-;/m1./s1
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| InChIKey |
VBKPFAQWQPMRHI-XBPPRYKJSA-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