General Information of the Compound
| Compound ID |
CP0910788
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| Compound Name |
4-[4-({(3R)-3-[(R)-Cyclohexyl(hydroxy)methyl]-1-methyl-2,5-dioxo-1,4,9-triazaspiro[5.5]undec-9-yl}methyl)phenoxy]-N-methylbenzamide hydrochloride
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| Structure |
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| Formula |
C31H41ClN4O5
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| Molecular Weight |
585.145
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| Canonical SMILES |
CNC(=O)c1ccc(Oc2ccc(CN3CCC4(CC3)C(=O)N[C@H]([C@H](O)C3CCCCC3)C(=O)N4C)cc2)cc1.Cl
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| InChI |
InChI=1S/C31H40N4O5.ClH/c1-32-28(37)23-10-14-25(15-11-23)40-24-12-8-21(9-13-24)20-35-18-16-31(17-19-35)30(39)33-26(29(38)34(31)2)27(36)22-6-4-3-5-7-22;/h8-15,22,26-27,36H,3-7,16-20H2,1-2H3,(H,32,37)(H,33,39);1H/t26-,27-;/m1./s1
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| InChIKey |
PCKDARFNONKALR-CNZCJKERSA-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