General Information of the Compound
| Compound ID |
CP0449593
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| Compound Name |
(2S,3R)-N-(3-{2,3-dihydrospiro[indene-1,4'-piperidine]-1'-yl}propyl)-3-hydroxy-2-(phenylformamido)butanamide
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| Structure |
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| Formula |
C27H35N3O3
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| Molecular Weight |
449.595
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| Canonical SMILES |
C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)NCCCN1CCC2(CCc3ccccc23)CC1
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| InChI |
InChI=1S/C27H35N3O3/c1-20(31)24(29-25(32)22-9-3-2-4-10-22)26(33)28-16-7-17-30-18-14-27(15-19-30)13-12-21-8-5-6-11-23(21)27/h2-6,8-11,20,24,31H,7,12-19H2,1H3,(H,28,33)(H,29,32)/t20-,24+/m1/s1
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| InChIKey |
QXOXMRZIJUKWDF-YKSBVNFPSA-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