General Information of the Compound
| Compound ID |
CP0384005
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| Compound Name |
(2R)-1-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-[(2R)-2-hydroxypropyl]amino]propan-2-ol
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| Structure |
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| Formula |
C24H38N4O2
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| Molecular Weight |
414.594
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| Canonical SMILES |
CCCN(CCC)[C@@H]([C@H](N(C[C@@H](C)O)C[C@@H](C)O)c1ccccn1)c1ccccn1
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| InChI |
InChI=1S/C24H38N4O2/c1-5-15-27(16-6-2)23(21-11-7-9-13-25-21)24(22-12-8-10-14-26-22)28(17-19(3)29)18-20(4)30/h7-14,19-20,23-24,29-30H,5-6,15-18H2,1-4H3/t19-,20-,23-,24-/m1/s1
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| InChIKey |
PDVNYVUUBZYCKV-FAYOUJPWSA-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