General Information of the Compound
| Compound ID |
CP0902375
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| Compound Name |
rac-1-Butyl-3-(cyclohexylmethyl)-9-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione dihydrochloride
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| Structure |
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| Formula |
C31H47Cl2N5O2
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| Molecular Weight |
592.656
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| Canonical SMILES |
CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1c(C)nn(-c3ccccc3)c1C)CC2.Cl.Cl
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| InChI |
InChI=1S/C31H45N5O2.2ClH/c1-4-5-18-35-29(37)28(21-25-12-8-6-9-13-25)32-30(38)31(35)16-19-34(20-17-31)22-27-23(2)33-36(24(27)3)26-14-10-7-11-15-26;;/h7,10-11,14-15,25,28H,4-6,8-9,12-13,16-22H2,1-3H3,(H,32,38);2*1H
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| InChIKey |
FYTLIWBMCUJKQN-UHFFFAOYSA-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