General Information of the Compound
| Compound ID |
CP0360719
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| Compound Name |
(2S)-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[(3-propan-2-ylphenyl)methylamino]butan-2-yl]-2-[(5S)-6-oxo-1-propyl-1,7-diazaspiro[4.4]nonan-7-yl]propanamide
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| Structure |
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| Formula |
C33H48N4O3
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| Molecular Weight |
548.772
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| Canonical SMILES |
CCCN1CCC[C@@]11CCN([C@@H](C)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(c2)C(C)C)C1=O
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| InChI |
InChI=1S/C33H48N4O3/c1-5-17-36-18-10-15-33(36)16-19-37(32(33)40)25(4)31(39)35-29(21-26-11-7-6-8-12-26)30(38)23-34-22-27-13-9-14-28(20-27)24(2)3/h6-9,11-14,20,24-25,29-30,34,38H,5,10,15-19,21-23H2,1-4H3,(H,35,39)/t25-,29-,30+,33-/m0/s1
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| InChIKey |
MOXAMLWWFJKUEH-XGZLTPBASA-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