General Information of the Compound
| Compound ID |
CP0677668
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| Compound Name |
7`-guanidino-17-(cyclopropylmethyl)-6,7-didehydro-4,5alpha-epoxy-3,14-hydroxyindolo-[2`,3`:6,7]morphinian
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| Structure |
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| Formula |
C27H29N5O3
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| Molecular Weight |
471.561
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| Canonical SMILES |
N=C(N)Nc1cccc2c3c([nH]c12)[C@@H]1Oc2c(O)ccc4c2[C@@]12CCN(CC1CC1)[C@H](C4)[C@]2(O)C3
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| InChI |
InChI=1S/C27H29N5O3/c28-25(29)30-17-3-1-2-15-16-11-27(34)19-10-14-6-7-18(33)23-20(14)26(27,8-9-32(19)12-13-4-5-13)24(35-23)22(16)31-21(15)17/h1-3,6-7,13,19,24,31,33-34H,4-5,8-12H2,(H4,28,29,30)/t19-,24+,26+,27-/m1/s1
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| InChIKey |
UYFZXRFRBFUSKY-NVHRKQFISA-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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