General Information of the Compound
| Compound ID |
CP0413999
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| Compound Name |
(E)-N-[(1R,2R,5R,6R,14S)-6-[benzenesulfonyl(cyclopropylmethyl)amino]-11-methoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-yl]-3-(furan-3-yl)-N-methylprop-2-enamide
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| Structure |
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| Formula |
C33H36N2O6S
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| Molecular Weight |
588.726
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| Canonical SMILES |
COc1ccc2C[C@H]([C@@H]3CC[C@H]([C@@H]4Oc1c2[C@H]34)N(C)C(=O)\C=C\c1ccoc1)N(CC1CC1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C33H36N2O6S/c1-34(29(36)15-10-22-16-17-40-20-22)26-13-12-25-27(18-23-11-14-28(39-2)33-30(23)31(25)32(26)41-33)35(19-21-8-9-21)42(37,38)24-6-4-3-5-7-24/h3-7,10-11,14-17,20-21,25-27,31-32H,8-9,12-13,18-19H2,1-2H3/b15-10+/t25-,26+,27+,31-,32-/m0/s1
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| InChIKey |
VTGLFMAGTSQXRC-QLWSVJHKSA-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
Protein ID: PT01132, Orexin receptor type 2
Protein ID: PT02001, Orexin/Hypocretin receptor type 1