General Information of the Compound
| Compound ID |
CP0062086
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| Compound Name |
(2R)-N-(adamantan-2-yl)-1-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C21H34N2O2
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| Molecular Weight |
346.515
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| Canonical SMILES |
O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1CC1CCOCC1
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| InChI |
InChI=1S/C21H34N2O2/c24-21(19-2-1-5-23(19)13-14-3-6-25-7-4-14)22-20-17-9-15-8-16(11-17)12-18(20)10-15/h14-20H,1-13H2,(H,22,24)/t15?,16?,17?,18?,19-,20?/m1/s1
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| InChIKey |
MBNQZQLPCFGXAR-RDOIFFKNSA-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