General Information of the Compound
| Compound ID |
CP0548345
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| Compound Name |
N-[(1R)-1-cyclohexyl-2-(3-methyl-4-oxo-1-pyridin-2-yl-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-methylbenzamide
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| Structure |
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| Formula |
C29H37N5O3
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| Molecular Weight |
503.647
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| Canonical SMILES |
CN1CN(c2ccccn2)C2(CCN(CC2)C(=O)[C@H](NC(=O)c2cccc(C)c2)C2CCCCC2)C1=O
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| InChI |
InChI=1S/C29H37N5O3/c1-21-9-8-12-23(19-21)26(35)31-25(22-10-4-3-5-11-22)27(36)33-17-14-29(15-18-33)28(37)32(2)20-34(29)24-13-6-7-16-30-24/h6-9,12-13,16,19,22,25H,3-5,10-11,14-15,17-18,20H2,1-2H3,(H,31,35)/t25-/m1/s1
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| InChIKey |
ZYWVMRSBMUHSJC-RUZDIDTESA-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