General Information of the Compound
| Compound ID |
CP0364803
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| Compound Name |
2-{2-(3,5-Dimethyl-phenyl)-3-[(S)-1-methyl-2-(4-pyridin-4-yl-butylamino)-ethyl]-1H-indol-5-yl}-2-methyl-1-(1,3,3-trimethyl-6-aza-bicyclo[3.2.1]oct-6-yl)-propan-1-one
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| Structure |
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| Formula |
C42H56N4O
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| Molecular Weight |
632.937
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| Canonical SMILES |
C[C@H](CNCCCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2(C)CC1CC(C)(C)C2)-c1cc(C)cc(C)c1
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| InChI |
InChI=1S/C42H56N4O/c1-28-19-29(2)21-32(20-28)38-37(30(3)25-44-16-10-9-11-31-14-17-43-18-15-31)35-22-33(12-13-36(35)45-38)41(6,7)39(47)46-27-42(8)24-34(46)23-40(4,5)26-42/h12-15,17-22,30,34,44-45H,9-11,16,23-27H2,1-8H3/t30-,34?,42?/m1/s1
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| InChIKey |
KASNIBWOGHVEPM-JHEJJMGCSA-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