General Information of the Compound
| Compound ID |
CP0578334
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| Compound Name |
CHEMBL5186057
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| Formula |
C27H32N6O3
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| Molecular Weight |
488.592
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| Canonical SMILES |
C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1ccn2nc(N)c(C(=O)N[C@H]3CC[C@H](O)CC3)c2n1
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| InChI |
InChI=1S/C27H32N6O3/c1-14-11-17(12-18-13-32(27(36)22(14)18)15(2)16-3-4-16)21-9-10-33-25(30-21)23(24(28)31-33)26(35)29-19-5-7-20(34)8-6-19/h9-12,15-16,19-20,34H,3-8,13H2,1-2H3,(H2,28,31)(H,29,35)/t15-,19-,20-/m0/s1
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| InChIKey |
NBADQPVOAILYHQ-YSSFQJQWSA-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