General Information of the Compound
| Compound ID |
CP0244439
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| Compound Name |
1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-(2-(3,5-dimethyl-phenyl)-3-{2-[isopropyl-(4-pyridin-4-yl-butyl)-amino]-ethyl}-1H-indol-5-yl)-2-methyl-propan-1-one
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| Structure |
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| Formula |
C40H52N4O
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| Molecular Weight |
604.883
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| Canonical SMILES |
CC(C)N(CCCCc1ccncc1)CCc1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1
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| InChI |
InChI=1S/C40H52N4O/c1-27(2)43(21-8-7-9-30-16-19-41-20-17-30)22-18-35-36-26-32(40(5,6)39(45)44-33-11-12-34(44)14-13-33)10-15-37(36)42-38(35)31-24-28(3)23-29(4)25-31/h10,15-17,19-20,23-27,33-34,42H,7-9,11-14,18,21-22H2,1-6H3
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| InChIKey |
DVIIIKHQAIRGHA-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