General Information of the Compound
| Compound ID |
CP0888452
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| Compound Name |
1-[4-(10,11-Dihydro-5Hdibenzo[a,d]cyclohepten-5-yl)-piperazin-1-yl]-3,3-diphenylpropan-1-one hydrochloride
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| Structure |
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| Formula |
C34H35ClN2O
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| Molecular Weight |
523.12
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| Canonical SMILES |
Cl.O=C(CC(c1ccccc1)c1ccccc1)N1CCN(C2c3ccccc3CCc3ccccc32)CC1
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| InChI |
InChI=1S/C34H34N2O.ClH/c37-33(25-32(26-11-3-1-4-12-26)27-13-5-2-6-14-27)35-21-23-36(24-22-35)34-30-17-9-7-15-28(30)19-20-29-16-8-10-18-31(29)34;/h1-18,32,34H,19-25H2;1H
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| InChIKey |
PHUAGSUOUGVKEC-UHFFFAOYSA-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