General Information of the Compound
| Compound ID |
CP0535760
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| Compound Name |
methyl (2S,3S)-2-[[3-(4-chlorophenyl)-2-cyclopropyl-2,7-diazaspiro[3.5]nonane-7-carbonyl]amino]-3-methylpentanoate
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| Structure |
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| Formula |
C24H34ClN3O3
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| Molecular Weight |
448.007
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)N1CCC2(CN(C3CC3)C2c2ccc(Cl)cc2)CC1)C(=O)OC
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| InChI |
InChI=1S/C24H34ClN3O3/c1-4-16(2)20(22(29)31-3)26-23(30)27-13-11-24(12-14-27)15-28(19-9-10-19)21(24)17-5-7-18(25)8-6-17/h5-8,16,19-21H,4,9-15H2,1-3H3,(H,26,30)/t16-,20-,21?/m0/s1
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| InChIKey |
RRMBVPYTHPGHKL-SQWITBJMSA-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