General Information of the Compound
| Compound ID |
CP0226761
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| Compound Name |
(1R,3S)-3-[6-(dimethylamino)hexanoylamino]-N-methyl-N-(4-phenylphenyl)cyclopentane-1-carboxamide
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| Structure |
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| Formula |
C27H37N3O2
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| Molecular Weight |
435.612
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| Canonical SMILES |
CN(C)CCCCCC(=O)N[C@H]1CC[C@H](C1)C(=O)N(C)c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C27H37N3O2/c1-29(2)19-9-5-8-12-26(31)28-24-16-13-23(20-24)27(32)30(3)25-17-14-22(15-18-25)21-10-6-4-7-11-21/h4,6-7,10-11,14-15,17-18,23-24H,5,8-9,12-13,16,19-20H2,1-3H3,(H,28,31)/t23-,24+/m1/s1
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| InChIKey |
NZVLYMJHQXCHFY-RPWUZVMVSA-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