General Information of the Compound
| Compound ID |
CP0194057
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| Compound Name |
3'N-(2-dimethylaminoethyl)-1-[4-(2-fluorophenylcarboxamido)benzoyl]spiro[2,3,4,5-tetrahydro-1H-benzo[b]azepine-4,1'-(2'-cyclopentene)]-3'-carboxamide
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| Structure |
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| Formula |
C33H35FN4O3
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| Molecular Weight |
554.666
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| Canonical SMILES |
CN(C)CCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2
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| InChI |
InChI=1S/C33H35FN4O3/c1-37(2)20-18-35-30(39)25-15-16-33(22-25)17-19-38(29-10-6-3-7-24(29)21-33)32(41)23-11-13-26(14-12-23)36-31(40)27-8-4-5-9-28(27)34/h3-14,22H,15-21H2,1-2H3,(H,35,39)(H,36,40)
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| InChIKey |
OFQCVYOFPPDYDD-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