General Information of the Compound
| Compound ID |
CP0439424
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| Compound Name |
4-(5-methoxy-pyridin-3-yl)-N-methyl-N-{(S)-1-[(S)-3-(3-phenyl-propylamino)-pyrrolidine-1-carbonyl]-pyrrolidin-3-yl}-benzamide
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| Structure |
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| Formula |
C32H39N5O3
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| Molecular Weight |
541.696
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| Canonical SMILES |
COc1cncc(c1)-c1ccc(cc1)C(=O)N(C)[C@H]1CCN(C1)C(=O)N1CC[C@@H](C1)NCCCc1ccccc1
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| InChI |
InChI=1S/C32H39N5O3/c1-35(31(38)26-12-10-25(11-13-26)27-19-30(40-2)21-33-20-27)29-15-18-37(23-29)32(39)36-17-14-28(22-36)34-16-6-9-24-7-4-3-5-8-24/h3-5,7-8,10-13,19-21,28-29,34H,6,9,14-18,22-23H2,1-2H3/t28-,29-/m0/s1
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| InChIKey |
YUOKDWGOMTZRNV-VMPREFPWSA-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