General Information of the Compound
| Compound ID |
CP0960055
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| Compound Name |
US9096606, 15
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| Structure |
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| Formula |
C30H38NO4S+
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| Molecular Weight |
508.704
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| Canonical SMILES |
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccsc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N+]1(C)CC1CC1)[C@H]2O5
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| InChI |
InChI=1S/C30H37NO4S/c1-31(15-19-3-4-19)11-10-29-25-21-5-6-23(32)26(25)35-27(29)30(33-2)9-8-28(29,24(31)13-21)14-22(30)17-34-16-20-7-12-36-18-20/h5-7,12,18-19,22,24,27H,3-4,8-11,13-17H2,1-2H3/p+1/t22-,24-,27-,28-,29+,30-,31?/m1/s1
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| InChIKey |
MRDMZRJKFOWUTI-OKFFUYMDSA-O
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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