General Information of the Compound
| Compound ID |
CP0149971
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| Compound Name |
(S)-1-(9H-Carbazol-4-yloxy)-3-{1-[4-(2,2-dimethyl-propyl)-benzenesulfonyl]-piperidin-4-ylamino}-propan-2-ol
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| Structure |
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| Formula |
C31H39N3O4S
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| Molecular Weight |
549.737
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| Canonical SMILES |
CC(C)(C)Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12
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| InChI |
InChI=1S/C31H39N3O4S/c1-31(2,3)19-22-11-13-25(14-12-22)39(36,37)34-17-15-23(16-18-34)32-20-24(35)21-38-29-10-6-9-28-30(29)26-7-4-5-8-27(26)33-28/h4-14,23-24,32-33,35H,15-21H2,1-3H3/t24-/m0/s1
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| InChIKey |
YSHLCXOJXKAALM-DEOSSOPVSA-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