General Information of the Compound
| Compound ID |
CP0495018
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| Compound Name |
1-(1-Cyclohexylmethyl-4-phenyl-pyrrolidin-3-ylmethyl)-4-(3-pyridin-4-yl-propyl)-piperidin-4-ol
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| Structure |
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| Formula |
C31H45N3O
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| Molecular Weight |
475.721
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| Canonical SMILES |
OC1(CCCc2ccncc2)CCN(C[C@H]2CN(CC3CCCCC3)C[C@@H]2c2ccccc2)CC1
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| InChI |
InChI=1S/C31H45N3O/c35-31(15-7-10-26-13-18-32-19-14-26)16-20-33(21-17-31)23-29-24-34(22-27-8-3-1-4-9-27)25-30(29)28-11-5-2-6-12-28/h2,5-6,11-14,18-19,27,29-30,35H,1,3-4,7-10,15-17,20-25H2/t29-,30+/m0/s1
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| InChIKey |
KEFFMDUPEITWQA-XZWHSSHBSA-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