General Information of the Compound
| Compound ID |
CP0510632
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| Compound Name |
(2R)-2-[(4aS,5R,8R,8aS)-2-acetamido-8-methyl-4,4a,5,6,7,8,8a,9-octahydrobenzo[f][1,3]benzothiazol-5-yl]-N-(4-chloro-3-pyridin-2-ylphenyl)propanamide
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| Structure |
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| Formula |
C28H31ClN4O2S
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| Molecular Weight |
523.102
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| Canonical SMILES |
C[C@H]([C@@H]1CC[C@@H](C)[C@@H]2Cc3sc(NC(C)=O)nc3C[C@H]12)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1
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| InChI |
InChI=1S/C28H31ClN4O2S/c1-15-7-9-19(21-13-25-26(14-20(15)21)36-28(33-25)31-17(3)34)16(2)27(35)32-18-8-10-23(29)22(12-18)24-6-4-5-11-30-24/h4-6,8,10-12,15-16,19-21H,7,9,13-14H2,1-3H3,(H,32,35)(H,31,33,34)/t15-,16-,19+,20+,21-/m1/s1
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| InChIKey |
FPOARNGOMVMKNX-RLVOKJKJSA-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