General Information of the Compound
| Compound ID |
CP0474529
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| Compound Name |
CHEMBL555222
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| Formula |
C33H43N5O2
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| Molecular Weight |
541.74
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| Canonical SMILES |
CC(C)n1c2ccccc2cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCN2CCN(CC2)c2ccccc2)c1=O
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| InChI |
InChI=1S/C33H43N5O2/c1-24(2)38-31-12-7-6-9-25(31)21-30(33(38)40)32(39)34-26-22-28-13-14-29(23-26)37(28)16-8-15-35-17-19-36(20-18-35)27-10-4-3-5-11-27/h3-7,9-12,21,24,26,28-29H,8,13-20,22-23H2,1-2H3,(H,34,39)/t26-,28+,29-
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| InChIKey |
YELQSMXPCPMVON-RHKQRFKBSA-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