General Information of the Compound
| Compound ID |
CP0447197
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| Compound Name |
1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;hydrochloride
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| Structure |
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| Formula |
C27H38ClN3O3
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| Molecular Weight |
488.072
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| Canonical SMILES |
Cl.CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1
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| InChI |
InChI=1S/C27H37N3O3.ClH/c1-3-15-30(16-4-2)27(33)22-12-8-11-21(18-22)26(32)29-24(17-20-9-6-5-7-10-20)25(31)19-28-23-13-14-23;/h5-12,18,23-25,28,31H,3-4,13-17,19H2,1-2H3,(H,29,32);1H/t24-,25+;/m0./s1
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| InChIKey |
PZRURKATEIHBEZ-CLSOAGJSSA-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