General Information of the Compound
| Compound ID |
CP0901062
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| Compound Name |
(3S)-1-Butyl-3-(cyclohexylmethyl)-9-[(6-phenylpyridin-3-yl)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione dihydrochloride
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| Structure |
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| Formula |
C31H44Cl2N4O2
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| Molecular Weight |
575.625
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| Canonical SMILES |
CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(-c3cccnc3)cc1)CC2.Cl.Cl
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| InChI |
InChI=1S/C31H42N4O2.2ClH/c1-2-3-18-35-29(36)28(21-24-8-5-4-6-9-24)33-30(37)31(35)15-19-34(20-16-31)23-25-11-13-26(14-12-25)27-10-7-17-32-22-27;;/h7,10-14,17,22,24,28H,2-6,8-9,15-16,18-21,23H2,1H3,(H,33,37);2*1H/t28-;;/m0../s1
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| InChIKey |
UKWRIUVOIHQLQN-ZXVJYWQYSA-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