General Information of the Compound
| Compound ID |
CP0182209
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| Compound Name |
5'-[N-(N'-Cyano)guanidinyl]-17-cyclopropylmethyl-6,7-didehydro-4,5alpha-epoxy-3,14-dihydroxyindolo[2',3':6,7]morphinan
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| Structure |
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| Formula |
C28H28N6O3
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| Molecular Weight |
496.571
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| Canonical SMILES |
NC(Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O)=NC#N
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| InChI |
InChI=1S/C28H28N6O3/c29-13-31-26(30)32-16-4-5-19-17(10-16)18-11-28(36)21-9-15-3-6-20(35)24-22(15)27(28,25(37-24)23(18)33-19)7-8-34(21)12-14-1-2-14/h3-6,10,14,21,25,33,35-36H,1-2,7-9,11-12H2,(H3,30,31,32)/t21?,25-,27-,28+/m0/s1
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| InChIKey |
XNDXLWXMLIMVAF-ZRWUOUSXSA-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