General Information of the Compound
| Compound ID |
CP0635512
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| Compound Name |
10,25-dimethoxy-15,15,30-trimethyl-(1S,16R)-7,23-dioxa-15,30-diazoniaheptacyclo[22.6.2.23,6.112,16.118,22.08,36.027,31]hexatriaconta-3,5,8,10,12(36),18,20,22(35),24(32),25,27(31),33-dodecaene-9,21-diol, dichloride (tubocurarine)
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| Structure |
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| Formula |
C37H41ClN2O6
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| Molecular Weight |
645.196
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| Canonical SMILES |
COc1cc2c3cc1Oc1cc(ccc1O)C[C@@H]1c4c(cc(OC)c(O)c4Oc4ccc(cc4)C[C@@H]3N(C)CC2)CC[N+]1(C)C.[Cl-]
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| InChI |
InChI=1S/C37H40N2O6.ClH/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33;/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41);1H/t28-,29+;/m0./s1
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| InChIKey |
MHXYWXHKLBMJKL-QBYKQQEBSA-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