General Information of the Compound
| Compound ID |
CP0930592
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| Compound Name |
SID99356410
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| Structure |
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| Formula |
C32H40N4O4
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| Molecular Weight |
544.696
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| Canonical SMILES |
C[C@H](O)[C@@H]1CN2CCc3c([nH]c4ccc(-c5ccc6c(c5)OCO6)cc34)[C@@H]2C[C@@H]1N(C)C(=O)NC1CCCCC1
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| InChI |
InChI=1S/C32H40N4O4/c1-19(37)25-17-36-13-12-23-24-14-20(21-9-11-29-30(15-21)40-18-39-29)8-10-26(24)34-31(23)28(36)16-27(25)35(2)32(38)33-22-6-4-3-5-7-22/h8-11,14-15,19,22,25,27-28,34,37H,3-7,12-13,16-18H2,1-2H3,(H,33,38)/t19-,25-,27-,28-/m0/s1
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| InChIKey |
JMFPTVAGOBHIRX-VCJXGGRGSA-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