General Information of the Compound
| Compound ID |
CP0535516
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| Compound Name |
1-N-[(1R,2S)-1-hydroxy-3-phenyl-1-[(2R)-pyrrolidin-2-yl]propan-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)[C@H]1CCCN1
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| InChI |
InChI=1S/C27H37N3O3.ClH/c1-3-16-30(17-4-2)27(33)22-13-8-12-21(19-22)26(32)29-24(18-20-10-6-5-7-11-20)25(31)23-14-9-15-28-23;/h5-8,10-13,19,23-25,28,31H,3-4,9,14-18H2,1-2H3,(H,29,32);1H/t23-,24+,25-;/m1./s1
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| InChIKey |
SHBJFWVCFPVGDX-HIYIHDMKSA-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