General Information of the Compound
| Compound ID |
CP0532447
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| Compound Name |
(2R)-1-benzyl-N-[3-[4-(3-ethyl-2-oxobenzimidazol-1-yl)piperidin-1-yl]propyl]pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C29H39N5O2
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| Molecular Weight |
489.664
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| Canonical SMILES |
CCn1c2ccccc2n(C2CCN(CCCNC(=O)[C@H]3CCCN3Cc3ccccc3)CC2)c1=O
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| InChI |
InChI=1S/C29H39N5O2/c1-2-33-25-12-6-7-13-26(25)34(29(33)36)24-15-20-31(21-16-24)18-9-17-30-28(35)27-14-8-19-32(27)22-23-10-4-3-5-11-23/h3-7,10-13,24,27H,2,8-9,14-22H2,1H3,(H,30,35)/t27-/m1/s1
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| InChIKey |
SDNDZFFAQNCHOA-HHHXNRCGSA-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