General Information of the Compound
| Compound ID |
CP0447818
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| Compound Name |
Balovaptan
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| Formula |
C22H24ClN5O
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| Molecular Weight |
409.921
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| Canonical SMILES |
CN1Cc2nnc([C@H]3CC[C@@H](CC3)Oc3ccccn3)n2-c2ccc(Cl)cc2C1
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| InChI |
InChI=1S/C22H24ClN5O/c1-27-13-16-12-17(23)7-10-19(16)28-20(14-27)25-26-22(28)15-5-8-18(9-6-15)29-21-4-2-3-11-24-21/h2-4,7,10-12,15,18H,5-6,8-9,13-14H2,1H3/t15-,18-
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| InChIKey |
GMPZPHGHNDMRKL-RZDIXWSQSA-N
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| CAS |
1228088-30-9
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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