General Information of the Compound
| Compound ID |
CP0899648
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| Compound Name |
(R)-2-Methyl-6-phenyl-4-phenylethynyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-((R)-2,2-dimethyl-[1,3]dioxolan-4-ylmethyl) ester 5-ethyl ester
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| Formula |
C30H31NO6
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| Molecular Weight |
501.579
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| Canonical SMILES |
CCOC(=O)C1=C(c2ccccc2)N=C(C)/C(=C(/O)OC[C@H]2COC(C)(C)O2)[C@H]1C#Cc1ccccc1
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| InChI |
InChI=1S/C30H31NO6/c1-5-34-29(33)26-24(17-16-21-12-8-6-9-13-21)25(20(2)31-27(26)22-14-10-7-11-15-22)28(32)35-18-23-19-36-30(3,4)37-23/h6-15,23-24,32H,5,18-19H2,1-4H3/b28-25+/t23-,24+/m0/s1
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| InChIKey |
MQSZJAFZHAIISG-VAANPZKOSA-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