General Information of the Compound
| Compound ID |
CP0387906
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| Compound Name |
1-(((3S,4S)-1-(cyclohexylmethyl)-4-phenylpyrrolidin-3-yl)methyl)-4-(3-(pyridin-2-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(CCCc2ccccn2)CCN(C[C@H]2CN(CC3CCCCC3)C[C@@H]2c2ccccc2)CC1
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| InChI |
InChI=1S/C31H45N3O/c35-31(16-9-15-29-14-7-8-19-32-29)17-20-33(21-18-31)23-28-24-34(22-26-10-3-1-4-11-26)25-30(28)27-12-5-2-6-13-27/h2,5-8,12-14,19,26,28,30,35H,1,3-4,9-11,15-18,20-25H2/t28-,30+/m0/s1
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| InChIKey |
CIZRLPXJAHENGW-MFMCTBQISA-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