General Information of the Compound
| Compound ID |
CP0568087
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| Compound Name |
CHEMBL5178231
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| Formula |
C27H33N7O2
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| Molecular Weight |
487.608
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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](N)CC3)c2n1
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| InChI |
InChI=1S/C27H33N7O2/c1-14-11-17(12-18-13-33(27(36)22(14)18)15(2)16-3-4-16)21-9-10-34-25(31-21)23(24(29)32-34)26(35)30-20-7-5-19(28)6-8-20/h9-12,15-16,19-20H,3-8,13,28H2,1-2H3,(H2,29,32)(H,30,35)/t15-,19-,20-/m0/s1
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| InChIKey |
AHZDEQHQWPPABS-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