General Information of the Compound
| Compound ID |
CP0573394
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| Compound Name |
tert-butyl 2,2-dimethyl-3-[2-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]ethylamino]-3-oxopropanoate
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| Structure |
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| Formula |
C30H42N2O3
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| Molecular Weight |
478.677
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| Canonical SMILES |
C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(CCNC(=O)C(C)(C)C(=O)OC(C)(C)C)cc1
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| InChI |
InChI=1S/C30H42N2O3/c1-22-8-7-20-32(22)21-18-24-11-15-26(16-12-24)25-13-9-23(10-14-25)17-19-31-27(33)30(5,6)28(34)35-29(2,3)4/h9-16,22H,7-8,17-21H2,1-6H3,(H,31,33)/t22-/m1/s1
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| InChIKey |
CVVVHSAIWUMKNN-JOCHJYFZSA-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