General Information of the Compound
| Compound ID |
CP0196182
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| Compound Name |
1-(3-Aza-bicyclo[3.2.2]non-3-yl)-2-{2-(3,5-dimethyl-phenyl)-3-[(S)-1-methyl-2-(4-pyridin-4-yl-butylamino)-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 |
C[C@H](CNCCCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC(CC2)C1)-c1cc(C)cc(C)c1
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| InChI |
InChI=1S/C40H52N4O/c1-27-20-28(2)22-33(21-27)38-37(29(3)24-42-17-7-6-8-30-15-18-41-19-16-30)35-23-34(13-14-36(35)43-38)40(4,5)39(45)44-25-31-9-10-32(26-44)12-11-31/h13-16,18-23,29,31-32,42-43H,6-12,17,24-26H2,1-5H3/t29-,31?,32?/m1/s1
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| InChIKey |
QKZVPPUMIROILW-UOCXPQTGSA-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