General Information of the Compound
| Compound ID |
CP0533038
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| Compound Name |
(1S,14R,15R)-25-(cyclopropylmethyl)-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3,5,7,9,11,17(22),18,20-octaen-21-ol
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| Structure |
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| Formula |
C27H28N2O
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| Molecular Weight |
396.534
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| Canonical SMILES |
Oc1cccc2C[C@@H]3[C@@H]4Cc5cc6ccccc6nc5C[C@]4(CCN3CC3CC3)c12
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| InChI |
InChI=1S/C27H28N2O/c30-25-7-3-5-19-14-24-21-13-20-12-18-4-1-2-6-22(18)28-23(20)15-27(21,26(19)25)10-11-29(24)16-17-8-9-17/h1-7,12,17,21,24,30H,8-11,13-16H2/t21-,24+,27-/m0/s1
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| InChIKey |
YLZBDJILWFIFDQ-WBWMCNGVSA-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