General Information of the Compound
| Compound ID |
CP0539714
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| Compound Name |
1-(1-Cyclohexylmethyl-4-phenyl-pyrrolidin-3-ylmethyl)-4-{3-[4-(1H-tetrazol-5-ylmethyl)-phenyl]-propyl}-piperidin-4-ol
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| Structure |
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| Formula |
C34H48N6O
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| Molecular Weight |
556.799
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| Canonical SMILES |
OC1(CCCc2ccc(Cc3nnn[nH]3)cc2)CCN(C[C@H]2CN(CC3CCCCC3)C[C@@H]2c2ccccc2)CC1
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| InChI |
InChI=1S/C34H48N6O/c41-34(17-7-10-27-13-15-28(16-14-27)22-33-35-37-38-36-33)18-20-39(21-19-34)24-31-25-40(23-29-8-3-1-4-9-29)26-32(31)30-11-5-2-6-12-30/h2,5-6,11-16,29,31-32,41H,1,3-4,7-10,17-26H2,(H,35,36,37,38)/t31-,32+/m0/s1
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| InChIKey |
NQPXYMWTFXTRMG-AJQTZOPKSA-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