General Information of the Compound
| Compound ID |
CP0445759
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| Compound Name |
2-[(10S,14R)-14-methyl-4-[5-(methylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-6-yl]propan-2-ol
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| Structure |
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| Formula |
C21H26N6O3
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| Molecular Weight |
410.478
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| Canonical SMILES |
CNc1cnc2[nH]ccc2c1-c1nc2N3[C@H](C)COC[C@H]3COc2c(n1)C(C)(C)O
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| InChI |
InChI=1S/C21H26N6O3/c1-11-8-29-9-12-10-30-16-17(21(2,3)28)25-19(26-20(16)27(11)12)15-13-5-6-23-18(13)24-7-14(15)22-4/h5-7,11-12,22,28H,8-10H2,1-4H3,(H,23,24)/t11-,12+/m1/s1
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| InChIKey |
KUFMKVZAFGRWKX-NEPJUHHUSA-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