General Information of the Compound
| Compound ID |
CP0149717
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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}-1-(dodecahydro-carbazol-9-yl)-2-methyl-propan-1-one
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| Structure |
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| Formula |
C44H58N4O
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| Molecular Weight |
658.975
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| Canonical SMILES |
C[C@H](CNCCCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCCCC2C2CCCCC12)-c1cc(C)cc(C)c1
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| InChI |
InChI=1S/C44H58N4O/c1-29-24-30(2)26-33(25-29)42-41(31(3)28-46-21-11-10-12-32-19-22-45-23-20-32)37-27-34(17-18-38(37)47-42)44(4,5)43(49)48-39-15-8-6-13-35(39)36-14-7-9-16-40(36)48/h17-20,22-27,31,35-36,39-40,46-47H,6-16,21,28H2,1-5H3/t31-,35?,36?,39?,40?/m1/s1
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| InChIKey |
BKSRWLOPOUNWJY-AMMNUJJISA-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