General Information of the Compound
| Compound ID |
CP0304517
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| Compound Name |
(1R,3S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(ethylcarbamoylamino)-N-methylcyclopentane-1-carboxamide
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| Structure |
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| Formula |
C23H26N4O3
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| Molecular Weight |
406.486
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| Canonical SMILES |
CCNC(=O)N[C@H]1CC[C@H](C1)C(=O)N(C)c1ccc(cc1)-c1nc2ccccc2o1
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| InChI |
InChI=1S/C23H26N4O3/c1-3-24-23(29)25-17-11-8-16(14-17)22(28)27(2)18-12-9-15(10-13-18)21-26-19-6-4-5-7-20(19)30-21/h4-7,9-10,12-13,16-17H,3,8,11,14H2,1-2H3,(H2,24,25,29)/t16-,17+/m1/s1
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| InChIKey |
QMMKTTMNMBWFNU-SJORKVTESA-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