General Information of the Compound
| Compound ID |
CP0866792
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| Compound Name |
17-Cyclopropylmethyl-17'-guanidinyl-6,6',7,7'-tetradehydro-4,5 alpha : 4',5' alpha-diepoxy-6,6'-(imino)[7,7'-bimorphinan]-3,3',14,14'-tetrol
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| Structure |
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| Formula |
C37H39N5O6
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| Molecular Weight |
649.748
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| Canonical SMILES |
N=C(N)N1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4c(c2C[C@@]3(O)[C@H]1C5)C[C@@]1(O)[C@H]2Cc3ccc(O)c5c3[C@@]1(CCN2CC1CC1)[C@H]4O5
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| InChI |
InChI=1S/C37H39N5O6/c38-33(39)42-10-8-35-26-18-4-6-22(44)30(26)48-32(35)28-20(14-37(35,46)24(42)12-18)19-13-36(45)23-11-17-3-5-21(43)29-25(17)34(36,31(47-29)27(19)40-28)7-9-41(23)15-16-1-2-16/h3-6,16,23-24,31-32,40,43-46H,1-2,7-15H2,(H3,38,39)/t23-,24-,31+,32+,34+,35+,36-,37-/m1/s1
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| InChIKey |
SJJIMQDQSSJWDN-RUCLRZJRSA-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